5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C18H21ClN4O — CID 87037741

IUPAC5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)N(C(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN4O/c1-13(2)23(14-8-4-3-5-9-14)17(24)16-15(19)12-20-18(21-16)22-10-6-7-11-22/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3
InChIKeyHWORXWTYOFCLRX-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.79
Rot. Bonds4

About 5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 87037741) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID87037741
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)N(C(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN4O/c1-13(2)23(14-8-4-3-5-9-14)17(24)16-15(19)12-20-18(21-16)22-10-6-7-11-22/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3
InChIKeyHWORXWTYOFCLRX-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 78888212
5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
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2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
(2R,3S)-3-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 124697860
2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347582
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55833945
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone
CID 94468049
2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
CID 119195202
5-chloro-N-[1-(2,3-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 86968037
4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421207
5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 94172656
5-chloro-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51964590

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 87037741) is 5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CC(C)N(C(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1.
What is the InChIKey of 5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is HWORXWTYOFCLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-13(2)23(14-8-4-3-5-9-14)17(24)16-15(19)12-20-18(21-16)22-10-6-7-11-22/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3.
What are the key properties of 5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 87037741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).