2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C22H25N5O — CID 109330248

IUPAC2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccncc2)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C22H25N5O/c1-16(2)27(15-19-7-5-4-6-8-19)22-25-17(3)13-20(26-22)21(28)24-14-18-9-11-23-12-10-18/h4-13,16H,14-15H2,1-3H3,(H,24,28)
InChIKeySOLFSMZVDOIGLG-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.53
Rot. Bonds7

About 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109330248) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109330248
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccncc2)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C22H25N5O/c1-16(2)27(15-19-7-5-4-6-8-19)22-25-17(3)13-20(26-22)21(28)24-14-18-9-11-23-12-10-18/h4-13,16H,14-15H2,1-3H3,(H,24,28)
InChIKeySOLFSMZVDOIGLG-UHFFFAOYSA-N
XLogP3.53
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321059
2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324083
2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304614
2-[benzyl(propan-2-yl)amino]-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109333030
2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322163
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325335
2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109329471
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 112907142
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
CID 109117885
6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109330248) is 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccncc2)nc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is SOLFSMZVDOIGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16(2)27(15-19-7-5-4-6-8-19)22-25-17(3)13-20(26-22)21(28)24-14-18-9-11-23-12-10-18/h4-13,16H,14-15H2,1-3H3,(H,24,28).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).