4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide

C10H11N5O — CID 107587408

IUPAC4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1cncnc1
InChIInChI=1S/C10H11N5O/c1-15-5-7(11)2-9(15)10(16)14-8-3-12-6-13-4-8/h2-6H,11H2,1H3,(H,14,16)
InChIKeyXCXXTEWCBVXHOD-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.65
Rot. Bonds2

About 4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide

4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide (PubChem CID 107587408) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide
PubChem CID107587408
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1cncnc1
InChIInChI=1S/C10H11N5O/c1-15-5-7(11)2-9(15)10(16)14-8-3-12-6-13-4-8/h2-6H,11H2,1H3,(H,14,16)
InChIKeyXCXXTEWCBVXHOD-UHFFFAOYSA-N
XLogP0.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
CID 43643735
4-amino-1-methyl-N-pyrazin-2-ylpyrrole-2-carboxamide
CID 43644131
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
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
prop-2-enyl N-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]carbamate;hydrochloride
CID 171802265
4-amino-1-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrole-2-carboxamide
CID 61102969
4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61236398
methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
4-amino-1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641889
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104616582

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide (CID 107587408) is 4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)Nc1cncnc1.
What is the InChIKey of 4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide?
The InChIKey is XCXXTEWCBVXHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-15-5-7(11)2-9(15)10(16)14-8-3-12-6-13-4-8/h2-6H,11H2,1H3,(H,14,16).
What are the key properties of 4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide?
4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide is sourced from PubChem (CID 107587408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).