4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

C17H16FN5O — CID 91899256

IUPAC4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc(N)nc1-c1c[nH]c(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C17H16FN5O/c1-10-7-22-17(19)23-15(10)12-6-14(20-9-12)16(24)21-8-11-4-2-3-5-13(11)18/h2-7,9,20H,8H2,1H3,(H,21,24)(H2,19,22,23)
InChIKeyLZXVZXKCLQPJTB-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.43
Rot. Bonds4

About 4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 91899256) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID91899256
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc(N)nc1-c1c[nH]c(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C17H16FN5O/c1-10-7-22-17(19)23-15(10)12-6-14(20-9-12)16(24)21-8-11-4-2-3-5-13(11)18/h2-7,9,20H,8H2,1H3,(H,21,24)(H2,19,22,23)
InChIKeyLZXVZXKCLQPJTB-UHFFFAOYSA-N
XLogP2.43
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 91899224
4-(2-amino-5-ethylpyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
CID 91899241
3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524798
fluoromethane;N-[(6-fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)methyl]-4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide
CID 142825318
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
methyl 2-[[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-phenylacetate
CID 69429380
4-[2-(3,4-dimethylanilino)-5-methylpyrimidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 91899269
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
2-[[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-phenylacetic acid
CID 22713666
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 110851153

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (CID 91899256) is 4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is Cc1cnc(N)nc1-c1c[nH]c(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LZXVZXKCLQPJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-10-7-22-17(19)23-15(10)12-6-14(20-9-12)16(24)21-8-11-4-2-3-5-13(11)18/h2-7,9,20H,8H2,1H3,(H,21,24)(H2,19,22,23).
What are the key properties of 4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 325.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91899256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).