6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C21H23N5O — CID 109329667

IUPAC6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)C)cc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C21H23N5O/c1-14(2)16-7-9-17(10-8-16)25-20(27)19-12-15(3)24-21(26-19)23-13-18-6-4-5-11-22-18/h4-12,14H,13H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyLXZSOVHISQOFQD-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.17
Rot. Bonds6

About 6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109329667) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109329667
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)C)cc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C21H23N5O/c1-14(2)16-7-9-17(10-8-16)25-20(27)19-12-15(3)24-21(26-19)23-13-18-6-4-5-11-22-18/h4-12,14H,13H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyLXZSOVHISQOFQD-UHFFFAOYSA-N
XLogP4.17
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320900
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328995
N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329721
N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329638
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714
N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329690
2-(butylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320521
6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109333333
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
6-methyl-2-N-(4-propan-2-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919161
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307006
2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319750

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109329667) is 6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)nc(NCc2ccccn2)n1.
What is the InChIKey of 6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is LXZSOVHISQOFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14(2)16-7-9-17(10-8-16)25-20(27)19-12-15(3)24-21(26-19)23-13-18-6-4-5-11-22-18/h4-12,14H,13H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109329667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).