4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide

C13H17N5O2 — CID 107605300

IUPAC4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C13H17N5O2/c1-4-18-7-9(14)6-10(18)12(19)17-13-15-8(2)5-11(16-13)20-3/h5-7H,4,14H2,1-3H3,(H,15,16,17,19)
InChIKeyFWIXNLZGMPKKQA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.45
Rot. Bonds4

About 4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide (PubChem CID 107605300) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide
PubChem CID107605300
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C13H17N5O2/c1-4-18-7-9(14)6-10(18)12(19)17-13-15-8(2)5-11(16-13)20-3/h5-7H,4,14H2,1-3H3,(H,15,16,17,19)
InChIKeyFWIXNLZGMPKKQA-UHFFFAOYSA-N
XLogP1.45
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide
CID 107624352
2-(5-amino-2-oxo-1-pyridinyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
CID 107605355
5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide
CID 107605341
2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
CID 107600198
2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107605297
4-amino-5-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-3-carboxamide
CID 107605336
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642936
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-4-carboxamide
CID 107603408
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide (CID 107605300) is 4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1nc(C)cc(OC)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide?
The InChIKey is FWIXNLZGMPKKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-18-7-9(14)6-10(18)12(19)17-13-15-8(2)5-11(16-13)20-3/h5-7H,4,14H2,1-3H3,(H,15,16,17,19).
What are the key properties of 4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 107605300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).