5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide

C16H14ClN5O — CID 90034382

IUPAC5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc(Cl)cc1-c1cc(-c2cc(N)ncn2)[nH]c1C(N)=O
InChIInChI=1S/C16H14ClN5O/c1-8-2-3-9(17)4-10(8)11-5-13(22-15(11)16(19)23)12-6-14(18)21-7-20-12/h2-7,22H,1H3,(H2,19,23)(H2,18,20,21)
InChIKeyNUKVKJNOZRDQHY-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.78
Rot. Bonds3

About 5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide

5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 90034382) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID90034382
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc(Cl)cc1-c1cc(-c2cc(N)ncn2)[nH]c1C(N)=O
InChIInChI=1S/C16H14ClN5O/c1-8-2-3-9(17)4-10(8)11-5-13(22-15(11)16(19)23)12-6-14(18)21-7-20-12/h2-7,22H,1H3,(H2,19,23)(H2,18,20,21)
InChIKeyNUKVKJNOZRDQHY-UHFFFAOYSA-N
XLogP2.78
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide (CID 90034382) is 5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide is Cc1ccc(Cl)cc1-c1cc(-c2cc(N)ncn2)[nH]c1C(N)=O.
What is the InChIKey of 5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is NUKVKJNOZRDQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-8-2-3-9(17)4-10(8)11-5-13(22-15(11)16(19)23)12-6-14(18)21-7-20-12/h2-7,22H,1H3,(H2,19,23)(H2,18,20,21).
What are the key properties of 5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide?
5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 90034382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).