6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

C26H31N5O — CID 151371495

IUPAC6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C26H31N5O/c1-30(16-15-20-9-5-3-6-10-20)26-28-23(25(32)27-18-21-13-14-21)17-24(29-26)31(2)19-22-11-7-4-8-12-22/h3-12,17,21H,13-16,18-19H2,1-2H3,(H,27,32)
InChIKeyOQNSNSGQOVWTFG-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.93
Rot. Bonds10

About 6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 151371495) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
PubChem CID151371495
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C26H31N5O/c1-30(16-15-20-9-5-3-6-10-20)26-28-23(25(32)27-18-21-13-14-21)17-24(29-26)31(2)19-22-11-7-4-8-12-22/h3-12,17,21H,13-16,18-19H2,1-2H3,(H,27,32)
InChIKeyOQNSNSGQOVWTFG-UHFFFAOYSA-N
XLogP3.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine-4,6-dicarboxylic acid bis-(4-fluoro-3-methyl-benzylamide)
CID 5289110
N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide
CID 11739042
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520948
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520949
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520961
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520962

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (CID 151371495) is 6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is CN(Cc1ccccc1)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is OQNSNSGQOVWTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-30(16-15-20-9-5-3-6-10-20)26-28-23(25(32)27-18-21-13-14-21)17-24(29-26)31(2)19-22-11-7-4-8-12-22/h3-12,17,21H,13-16,18-19H2,1-2H3,(H,27,32).
What are the key properties of 6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 151371495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).