2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C18H25N5O — CID 109330013

IUPAC2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C18H25N5O/c1-4-9-23(10-5-2)18-21-14(3)11-16(22-18)17(24)20-13-15-7-6-8-19-12-15/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,20,24)
InChIKeyBQCDESNDXUPONV-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.74
Rot. Bonds8

About 2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109330013) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109330013
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C18H25N5O/c1-4-9-23(10-5-2)18-21-14(3)11-16(22-18)17(24)20-13-15-7-6-8-19-12-15/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,20,24)
InChIKeyBQCDESNDXUPONV-UHFFFAOYSA-N
XLogP2.74
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109329471
2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109328910
2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109324862
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109325078
6-methyl-N-pentyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329888
2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330057
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
2-(2-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330039
2-(2-bromoanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330078
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109330013) is 2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is CCCN(CCC)c1nc(C)cc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is BQCDESNDXUPONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-9-23(10-5-2)18-21-14(3)11-16(22-18)17(24)20-13-15-7-6-8-19-12-15/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,20,24).
What are the key properties of 2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).