N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C17H22N4O2 — CID 109295454

IUPACN-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-11(2)19-16(22)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)23-12(3)4/h5-12H,1-4H3,(H,19,22)(H,18,20,21)
InChIKeyCVLSDQQKPGEYJR-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.15
Rot. Bonds6

About N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109295454) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109295454
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-11(2)19-16(22)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)23-12(3)4/h5-12H,1-4H3,(H,19,22)(H,18,20,21)
InChIKeyCVLSDQQKPGEYJR-UHFFFAOYSA-N
XLogP3.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
N-(3-methylbutyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311907
N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109318006
N-(2-chlorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316775
2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109314998
N-(3-fluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317996
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
N-(oxolan-2-ylmethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109300990
(4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109302309
1-[4-[[4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905191
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109301644

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109295454) is N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)NC(=O)c1ccnc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is CVLSDQQKPGEYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)19-16(22)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)23-12(3)4/h5-12H,1-4H3,(H,19,22)(H,18,20,21).
What are the key properties of N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).