1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide

C19H20ClN5O — CID 170154129

IUPAC1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccn(-c2nc(N)ncc2C)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN5O/c1-3-16(13-5-4-6-15(20)9-13)23-18(26)14-7-8-25(11-14)17-12(2)10-22-19(21)24-17/h4-11,16H,3H2,1-2H3,(H,23,26)(H2,21,22,24)/t16-/m0/s1
InChIKeyCSVBQUCFEGWNMZ-INIZCTEOSA-N
MW369.86 g/mol
LogP3.69
Rot. Bonds5

About 1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide

1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide (PubChem CID 170154129) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide
PubChem CID170154129
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccn(-c2nc(N)ncc2C)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN5O/c1-3-16(13-5-4-6-15(20)9-13)23-18(26)14-7-8-25(11-14)17-12(2)10-22-19(21)24-17/h4-11,16H,3H2,1-2H3,(H,23,26)(H2,21,22,24)/t16-/m0/s1
InChIKeyCSVBQUCFEGWNMZ-INIZCTEOSA-N
XLogP3.69
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1-[5-methyl-2-[(2-oxo-3H-1-benzofuran-5-yl)amino]pyrimidin-4-yl]pyrrole-3-carboxamide
CID 167326937
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792897
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-1-[2-(3-ethyl-4,5-dimethoxyanilino)-5-methylpyrimidin-4-yl]pyrrole-3-carboxamide
CID 170154058
N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
CID 115497155
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
CID 55582198
2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
CID 63110061
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
CID 63526336
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-fluoro-5-methyl-4-pyridinyl)benzamide
CID 68513544
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1-[5-methyl-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]imidazole-4-carboxamide;sulfane
CID 158763190

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide (CID 170154129) is 1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide is CC[C@H](NC(=O)c1ccn(-c2nc(N)ncc2C)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide?
The InChIKey is CSVBQUCFEGWNMZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-3-16(13-5-4-6-15(20)9-13)23-18(26)14-7-8-25(11-14)17-12(2)10-22-19(21)24-17/h4-11,16H,3H2,1-2H3,(H,23,26)(H2,21,22,24)/t16-/m0/s1.
What are the key properties of 1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide?
1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylpyrimidin-4-yl)-N-[(1S)-1-(3-chlorophenyl)propyl]pyrrole-3-carboxamide is sourced from PubChem (CID 170154129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).