4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide

C12H15N5O3 — CID 107624352

IUPAC4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2cc(N)cn2C)n1
InChIInChI=1S/C12H15N5O3/c1-17-6-7(13)4-8(17)11(18)16-12-14-9(19-2)5-10(15-12)20-3/h4-6H,13H2,1-3H3,(H,14,15,16,18)
InChIKeyWAZKMMMYWHSEIH-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.67
Rot. Bonds4

About 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide

4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 107624352) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID107624352
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2cc(N)cn2C)n1
InChIInChI=1S/C12H15N5O3/c1-17-6-7(13)4-8(17)11(18)16-12-14-9(19-2)5-10(15-12)20-3/h4-6H,13H2,1-3H3,(H,14,15,16,18)
InChIKeyWAZKMMMYWHSEIH-UHFFFAOYSA-N
XLogP0.67
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide
CID 107605300
4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43642860
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 114931717
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641889
1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide
CID 107625841
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylimidazole-2-carboxylate
CID 59799146
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide (CID 107624352) is 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide is COc1cc(OC)nc(NC(=O)c2cc(N)cn2C)n1.
What is the InChIKey of 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is WAZKMMMYWHSEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-17-6-7(13)4-8(17)11(18)16-12-14-9(19-2)5-10(15-12)20-3/h4-6H,13H2,1-3H3,(H,14,15,16,18).
What are the key properties of 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 107624352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).