4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide

C85H97N25O7S — CID 162186273

IUPAC4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
SMILESCCC(C)Nc1ncc(C(N)=O)c(Nc2ccccc2)n1.COc1ccc(CNc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC.NC(=O)c1cnc(NC2CCCC2)nc1Nc1ccccc1.NC(=O)c1cnc(NC2CCCCC2)nc1Nc1ccccc1.NC(=O)c1cnc(NCCc2cccs2)nc1Nc1ccccc1
InChIInChI=1S/C20H21N5O3.C17H17N5OS.C17H21N5O.C16H19N5O.C15H19N5O/c1-27-16-9-8-13(10-17(16)28-2)11-22-20-23-12-15(18(21)26)19(25-20)24-14-6-4-3-5-7-14;18-15(23)14-11-20-17(19-9-8-13-7-4-10-24-13)22-16(14)21-12-5-2-1-3-6-12;18-15(23)14-11-19-17(21-13-9-5-2-6-10-13)22-16(14)20-12-7-3-1-4-8-12;17-14(22)13-10-18-16(20-12-8-4-5-9-12)21-15(13)19-11-6-2-1-3-7-11;1-3-10(2)18-15-17-9-12(13(16)21)14(20-15)19-11-7-5-4-6-8-11/h3-10,12H,11H2,1-2H3,(H2,21,26)(H2,22,23,24,25);1-7,10-11H,8-9H2,(H2,18,23)(H2,19,20,21,22);1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,18,23)(H2,19,20,21,22);1-3,6-7,10,12H,4-5,8-9H2,(H2,17,22)(H2,18,19,20,21);4-10H,3H2,1-2H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyZPRQFOOWCYCHNE-UHFFFAOYSA-N
MW1612.95 g/mol
LogP14.25
Rot. Bonds31

About 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide

4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide (PubChem CID 162186273) has the molecular formula C85H97N25O7S and a molecular weight of 1612.95 g/mol. Its IUPAC name is 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
PubChem CID162186273
Molecular FormulaC85H97N25O7S
Molecular Weight1612.95 g/mol
Exact Mass1611.77
IUPAC Name4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
SMILESCCC(C)Nc1ncc(C(N)=O)c(Nc2ccccc2)n1.COc1ccc(CNc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC.NC(=O)c1cnc(NC2CCCC2)nc1Nc1ccccc1.NC(=O)c1cnc(NC2CCCCC2)nc1Nc1ccccc1.NC(=O)c1cnc(NCCc2cccs2)nc1Nc1ccccc1
InChIInChI=1S/C20H21N5O3.C17H17N5OS.C17H21N5O.C16H19N5O.C15H19N5O/c1-27-16-9-8-13(10-17(16)28-2)11-22-20-23-12-15(18(21)26)19(25-20)24-14-6-4-3-5-7-14;18-15(23)14-11-20-17(19-9-8-13-7-4-10-24-13)22-16(14)21-12-5-2-1-3-6-12;18-15(23)14-11-19-17(21-13-9-5-2-6-10-13)22-16(14)20-12-7-3-1-4-8-12;17-14(22)13-10-18-16(20-12-8-4-5-9-12)21-15(13)19-11-6-2-1-3-7-11;1-3-10(2)18-15-17-9-12(13(16)21)14(20-15)19-11-7-5-4-6-8-11/h3-10,12H,11H2,1-2H3,(H2,21,26)(H2,22,23,24,25);1-7,10-11H,8-9H2,(H2,18,23)(H2,19,20,21,22);1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,18,23)(H2,19,20,21,22);1-3,6-7,10,12H,4-5,8-9H2,(H2,17,22)(H2,18,19,20,21);4-10H,3H2,1-2H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyZPRQFOOWCYCHNE-UHFFFAOYSA-N
XLogP14.25
TPSA483.11 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001612.95
LogP ≤ 514.25
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Analyze 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide (CID 162186273) is 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide is CCC(C)Nc1ncc(C(N)=O)c(Nc2ccccc2)n1.COc1ccc(CNc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC.NC(=O)c1cnc(NC2CCCC2)nc1Nc1ccccc1.NC(=O)c1cnc(NC2CCCCC2)nc1Nc1ccccc1.NC(=O)c1cnc(NCCc2cccs2)nc1Nc1ccccc1.
What is the InChIKey of 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide?
The InChIKey is ZPRQFOOWCYCHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3.C17H17N5OS.C17H21N5O.C16H19N5O.C15H19N5O/c1-27-16-9-8-13(10-17(16)28-2)11-22-20-23-12-15(18(21)26)19(25-20)24-14-6-4-3-5-7-14;18-15(23)14-11-20-17(19-9-8-13-7-4-10-24-13)22-16(14)21-12-5-2-1-3-6-12;18-15(23)14-11-19-17(21-13-9-5-2-6-10-13)22-16(14)20-12-7-3-1-4-8-12;17-14(22)13-10-18-16(20-12-8-4-5-9-12)21-15(13)19-11-6-2-1-3-7-11;1-3-10(2)18-15-17-9-12(13(16)21)14(20-15)19-11-7-5-4-6-8-11/h3-10,12H,11H2,1-2H3,(H2,21,26)(H2,22,23,24,25);1-7,10-11H,8-9H2,(H2,18,23)(H2,19,20,21,22);1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,18,23)(H2,19,20,21,22);1-3,6-7,10,12H,4-5,8-9H2,(H2,17,22)(H2,18,19,20,21);4-10H,3H2,1-2H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide?
4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide has a molecular weight of 1612.95 g/mol, XLogP of 14.25, 31 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(butan-2-ylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclohexylamino)pyrimidine-5-carboxamide;4-anilino-2-(cyclopentylamino)pyrimidine-5-carboxamide;4-anilino-2-[(3,4-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide;4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 162186273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).