2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C16H22N6O — CID 109324862

IUPAC2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2)nc(NCCN(C)C)n1
InChIInChI=1S/C16H22N6O/c1-12-9-14(21-16(20-12)18-7-8-22(2)3)15(23)19-11-13-5-4-6-17-10-13/h4-6,9-10H,7-8,11H2,1-3H3,(H,19,23)(H,18,20,21)
InChIKeyFBWAIMINNGLMKE-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.08
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109324862) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109324862
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2)nc(NCCN(C)C)n1
InChIInChI=1S/C16H22N6O/c1-12-9-14(21-16(20-12)18-7-8-22(2)3)15(23)19-11-13-5-4-6-17-10-13/h4-6,9-10H,7-8,11H2,1-3H3,(H,19,23)(H,18,20,21)
InChIKeyFBWAIMINNGLMKE-UHFFFAOYSA-N
XLogP1.08
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
6-methyl-N-pentyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329888
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
N-tert-butyl-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329884
2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330013
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
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329883
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330057
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
6-methyl-N-(2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329896

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109324862) is 2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2cccnc2)nc(NCCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is FBWAIMINNGLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-9-14(21-16(20-12)18-7-8-22(2)3)15(23)19-11-13-5-4-6-17-10-13/h4-6,9-10H,7-8,11H2,1-3H3,(H,19,23)(H,18,20,21).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109324862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).