5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide

C17H17N5O — CID 24809769

IUPAC5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C
InChIInChI=1S/C17H17N5O/c1-9-4-3-5-11(10(9)2)15-12(16(18)23)8-14(21-15)13-6-7-20-17(19)22-13/h3-8,21H,1-2H3,(H2,18,23)(H2,19,20,22)
InChIKeyJJJSCYSPSKBQAX-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.44
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 24809769) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID24809769
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C
InChIInChI=1S/C17H17N5O/c1-9-4-3-5-11(10(9)2)15-12(16(18)23)8-14(21-15)13-6-7-20-17(19)22-13/h3-8,21H,1-2H3,(H2,18,23)(H2,19,20,22)
InChIKeyJJJSCYSPSKBQAX-UHFFFAOYSA-N
XLogP2.44
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

AR-H047108
CID 9864291
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190896
2-[2-(Oxan-4-Ylamino)pyrimidin-4-Yl]-5-(Phenylmethyl)-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480560
2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470743
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 10427243
2-(pyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11149391
2-(2-aminopyrimidin-4-yl)-7-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11207259
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11266364

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide (CID 24809769) is 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide is Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is JJJSCYSPSKBQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-9-4-3-5-11(10(9)2)15-12(16(18)23)8-14(21-15)13-6-7-20-17(19)22-13/h3-8,21H,1-2H3,(H2,18,23)(H2,19,20,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.44, 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-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).