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

C16H14ClN5O — CID 118729861

IUPAC4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide
SMILESCc1ccc(Cl)cc1-n1cc(-c2ccnc(N)n2)cc1C(N)=O
InChIInChI=1S/C16H14ClN5O/c1-9-2-3-11(17)7-13(9)22-8-10(6-14(22)15(18)23)12-4-5-20-16(19)21-12/h2-8H,1H3,(H2,18,23)(H2,19,20,21)
InChIKeyURWKTHYHKZVPFO-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.58
Rot. Bonds3

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

4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide (PubChem CID 118729861) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide
PubChem CID118729861
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide
SMILESCc1ccc(Cl)cc1-n1cc(-c2ccnc(N)n2)cc1C(N)=O
InChIInChI=1S/C16H14ClN5O/c1-9-2-3-11(17)7-13(9)22-8-10(6-14(22)15(18)23)12-4-5-20-16(19)21-12/h2-8H,1H3,(H2,18,23)(H2,19,20,21)
InChIKeyURWKTHYHKZVPFO-UHFFFAOYSA-N
XLogP2.58
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 6539313
CID 6539313
CID 44520946
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CID 57659335
CID 57659335
CID 66570958
CID 66570958
CID 118129292
CID 118129292
CID 72737634
CID 72737634
CID 73056517
CID 73056517
CID 25138022
CID 25138022
CID 44520945
CID 44520945
CID 44520959
CID 44520959
CID 44520960
CID 44520960
CID 76210601
CID 76210601

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide (CID 118729861) is 4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide is Cc1ccc(Cl)cc1-n1cc(-c2ccnc(N)n2)cc1C(N)=O.
What is the InChIKey of 4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is URWKTHYHKZVPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-9-2-3-11(17)7-13(9)22-8-10(6-14(22)15(18)23)12-4-5-20-16(19)21-12/h2-8H,1H3,(H2,18,23)(H2,19,20,21).
What are the key properties of 4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide?
4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-4-yl)-1-(5-chloro-2-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 118729861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).