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

C17H17N5O2 — CID 24809837

IUPAC5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C
InChIInChI=1S/C17H17N5O2/c1-9-10(4-3-5-14(9)24-2)15-11(16(18)23)8-13(21-15)12-6-7-20-17(19)22-12/h3-8,21H,1-2H3,(H2,18,23)(H2,19,20,22)
InChIKeyOKUPFDXUWVBPFF-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.14
Rot. Bonds4

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

5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 24809837) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID24809837
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C
InChIInChI=1S/C17H17N5O2/c1-9-10(4-3-5-14(9)24-2)15-11(16(18)23)8-13(21-15)12-6-7-20-17(19)22-12/h3-8,21H,1-2H3,(H2,18,23)(H2,19,20,22)
InChIKeyOKUPFDXUWVBPFF-UHFFFAOYSA-N
XLogP2.14
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-aminopyrimidin-4-yl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxylate
CID 68947362
5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide;sulfuric acid
CID 52939598
5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-methoxyphenyl)-1H-pyrrole-3-carboxylic acid
CID 141428963
2-[5-(2-aminopyrimidin-4-yl)-2-(4-chlorophenyl)-1H-pyrrol-3-yl]benzamide
CID 175261561
ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate
CID 68945170
2-[5-(2-aminopyrimidin-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyrrol-3-yl]benzamide
CID 174697192
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
5-(2-aminopyrimidin-4-yl)-2-(5-bromo-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid
CID 70979559
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-(2-fluoroethyl)-1H-pyrrole-3-carboxamide
CID 66571200
tert-butyl N-[4-(4-carbamoyl-5-phenyl-1H-pyrrol-2-yl)pyrimidin-2-yl]-N-methylcarbamate
CID 143546241
2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
CID 165391983
4-(6-methoxy-2-pyridinyl)pyrimidin-2-amine
CID 130049203

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide (CID 24809837) is 5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide is COc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is OKUPFDXUWVBPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-9-10(4-3-5-14(9)24-2)15-11(16(18)23)8-13(21-15)12-6-7-20-17(19)22-12/h3-8,21H,1-2H3,(H2,18,23)(H2,19,20,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-(3-methoxy-2-methylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).