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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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).