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

C15H11Cl2N5O — CID 24809803

IUPAC5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N5O/c16-7-1-2-8(10(17)5-7)13-9(14(18)23)6-12(21-13)11-3-4-20-15(19)22-11/h1-6,21H,(H2,18,23)(H2,19,20,22)
InChIKeyRKUKAACYUCUJEE-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.13
Rot. Bonds3

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

5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 24809803) has the molecular formula C15H11Cl2N5O and a molecular weight of 348.19 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID24809803
Molecular FormulaC15H11Cl2N5O
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N5O/c16-7-1-2-8(10(17)5-7)13-9(14(18)23)6-12(21-13)11-3-4-20-15(19)22-11/h1-6,21H,(H2,18,23)(H2,19,20,22)
InChIKeyRKUKAACYUCUJEE-UHFFFAOYSA-N
XLogP3.13
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
2-(2-Amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
CID 11300082
N-(4-{4-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-2-yl}pyrimidin-2-yl)benzamide
CID 11404817
2-(2-aminopyrimidin-4-yl)-6-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11425051
2-[2-(propylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11425728
5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 24809764
2-(2-aminopyrimidin-4-yl)-7-ethyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190892

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide (CID 24809803) is 5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is RKUKAACYUCUJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O/c16-7-1-2-8(10(17)5-7)13-9(14(18)23)6-12(21-13)11-3-4-20-15(19)22-11/h1-6,21H,(H2,18,23)(H2,19,20,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 3.13, 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-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).