4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide

C10H10ClN5O — CID 114052776

IUPAC4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(Cl)nc(NC(=O)c2cc(N)c[nH]2)n1
InChIInChI=1S/C10H10ClN5O/c1-5-2-8(11)15-10(14-5)16-9(17)7-3-6(12)4-13-7/h2-4,13H,12H2,1H3,(H,14,15,16,17)
InChIKeyOXBXRVDEAIWOAR-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.60
Rot. Bonds2

About 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide

4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 114052776) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID114052776
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(Cl)nc(NC(=O)c2cc(N)c[nH]2)n1
InChIInChI=1S/C10H10ClN5O/c1-5-2-8(11)15-10(14-5)16-9(17)7-3-6(12)4-13-7/h2-4,13H,12H2,1H3,(H,14,15,16,17)
InChIKeyOXBXRVDEAIWOAR-UHFFFAOYSA-N
XLogP1.60
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 43643269
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
CID 65487175
4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43642230
2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052927
3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052917
N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114053411
4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643363
2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide
CID 114052924
1-(4-tert-butylphenyl)-3-(4-chloro-6-methylpyrimidin-2-yl)urea
CID 122507249
4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 61117966
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea
CID 122507242

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide (CID 114052776) is 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide is Cc1cc(Cl)nc(NC(=O)c2cc(N)c[nH]2)n1.
What is the InChIKey of 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is OXBXRVDEAIWOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-5-2-8(11)15-10(14-5)16-9(17)7-3-6(12)4-13-7/h2-4,13H,12H2,1H3,(H,14,15,16,17).
What are the key properties of 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 251.68 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 114052776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).