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

C16H14ClN5O — CID 66571009

IUPAC5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(Cl)c(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1
InChIInChI=1S/C16H14ClN5O/c1-8-2-3-11(17)9(6-8)14-10(15(18)23)7-13(21-14)12-4-5-20-16(19)22-12/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22)
InChIKeyMDONDWLCISBSBA-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.78
Rot. Bonds3

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

5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 66571009) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID66571009
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(Cl)c(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1
InChIInChI=1S/C16H14ClN5O/c1-8-2-3-11(17)9(6-8)14-10(15(18)23)7-13(21-14)12-4-5-20-16(19)22-12/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22)
InChIKeyMDONDWLCISBSBA-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-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide (CID 66571009) is 5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide is Cc1ccc(Cl)c(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is MDONDWLCISBSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-8-2-3-11(17)9(6-8)14-10(15(18)23)7-13(21-14)12-4-5-20-16(19)22-12/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-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-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 66571009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).