4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide

C19H26N6O — CID 58014750

IUPAC4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(Nc2ncc(C(N)=O)c(NC3CCC3)n2)cc1
InChIInChI=1S/C19H26N6O/c1-3-25(4-2)15-10-8-14(9-11-15)23-19-21-12-16(17(20)26)18(24-19)22-13-6-5-7-13/h8-13H,3-7H2,1-2H3,(H2,20,26)(H2,21,22,23,24)
InChIKeyGPOQKVUJOPWFGH-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.13
Rot. Bonds8

About 4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide

4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide (PubChem CID 58014750) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
PubChem CID58014750
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(Nc2ncc(C(N)=O)c(NC3CCC3)n2)cc1
InChIInChI=1S/C19H26N6O/c1-3-25(4-2)15-10-8-14(9-11-15)23-19-21-12-16(17(20)26)18(24-19)22-13-6-5-7-13/h8-13H,3-7H2,1-2H3,(H2,20,26)(H2,21,22,23,24)
InChIKeyGPOQKVUJOPWFGH-UHFFFAOYSA-N
XLogP3.13
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylamino)-2-[4-[methyl(propanoyl)amino]anilino]pyrimidine-5-carboxamide
CID 58014826
2-[4-[(3-amino-3-oxopropyl)-methylamino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 66792045
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
propan-2-yl N-[4-[[5-carbamoyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]-N-methylcarbamate
CID 58014926
4-(cyclobutylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014823
4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 44594230
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 153028738
4-(cyclobutylamino)-2-(2,3,4,5-tetrahydro-1,5-benzoxazepin-7-ylamino)pyrimidine-5-carboxamide
CID 154949415
4-(cyclopropylamino)-2-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 58014756
2-[4-(4-carbamoylpiperidin-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014896
4-(cyclopropylamino)-2-[4-(2-methoxyethylsulfamoyl)anilino]pyrimidine-5-carboxamide
CID 58014791

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide (CID 58014750) is 4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide is CCN(CC)c1ccc(Nc2ncc(C(N)=O)c(NC3CCC3)n2)cc1.
What is the InChIKey of 4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide?
The InChIKey is GPOQKVUJOPWFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-25(4-2)15-10-8-14(9-11-15)23-19-21-12-16(17(20)26)18(24-19)22-13-6-5-7-13/h8-13H,3-7H2,1-2H3,(H2,20,26)(H2,21,22,23,24).
What are the key properties of 4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide?
4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 58014750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).