5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C15H19N5O — CID 62156181

IUPAC5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(C)Cc2cccnc2)n1
InChIInChI=1S/C15H19N5O/c1-10(2)14-18-8-12(16)13(19-14)15(21)20(3)9-11-5-4-6-17-7-11/h4-8,10H,9,16H2,1-3H3
InChIKeyPHIIRSJNPGUNRR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.85
Rot. Bonds4

About 5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 62156181) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID62156181
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(C)Cc2cccnc2)n1
InChIInChI=1S/C15H19N5O/c1-10(2)14-18-8-12(16)13(19-14)15(21)20(3)9-11-5-4-6-17-7-11/h4-8,10H,9,16H2,1-3H3
InChIKeyPHIIRSJNPGUNRR-UHFFFAOYSA-N
XLogP1.85
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155107
5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 62017148
5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79864352
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43643792
5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 63275010
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 47245198

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 62156181) is 5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)N(C)Cc2cccnc2)n1.
What is the InChIKey of 5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is PHIIRSJNPGUNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(2)14-18-8-12(16)13(19-14)15(21)20(3)9-11-5-4-6-17-7-11/h4-8,10H,9,16H2,1-3H3.
What are the key properties of 5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62156181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).