2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide

C17H18N6O2S — CID 59022913

IUPAC2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2cc(-c3nc(C)cs3)nc(N)n2)n1
InChIInChI=1S/C17H18N6O2S/c1-10-9-26-16(20-10)14-6-13(22-17(18)23-14)15(24)19-7-11-4-3-5-12(21-11)8-25-2/h3-6,9H,7-8H2,1-2H3,(H,19,24)(H2,18,22,23)
InChIKeyWLSSRAKOPZMTPZ-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.96
Rot. Bonds6

About 2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide

2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 59022913) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID59022913
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2cc(-c3nc(C)cs3)nc(N)n2)n1
InChIInChI=1S/C17H18N6O2S/c1-10-9-26-16(20-10)14-6-13(22-17(18)23-14)15(24)19-7-11-4-3-5-12(21-11)8-25-2/h3-6,9H,7-8H2,1-2H3,(H,19,24)(H2,18,22,23)
InChIKeyWLSSRAKOPZMTPZ-UHFFFAOYSA-N
XLogP1.96
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 59022902
2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 59022942
[6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate
CID 11385446
2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 11201291
4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide
CID 44520939
2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520953
2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 44520978
6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide
CID 74231962
2-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119718237
2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55716938
2-amino-6-(furan-2-yl)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 11737091
2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520955

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 59022913) is 2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is COCc1cccc(CNC(=O)c2cc(-c3nc(C)cs3)nc(N)n2)n1.
What is the InChIKey of 2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is WLSSRAKOPZMTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-10-9-26-16(20-10)14-6-13(22-17(18)23-14)15(24)19-7-11-4-3-5-12(21-11)8-25-2/h3-6,9H,7-8H2,1-2H3,(H,19,24)(H2,18,22,23).
What are the key properties of 2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 370.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59022913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).