4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine

C15H15ClFN3 — CID 57444194

IUPAC4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine
SMILESFc1cccc(Cc2c(Cl)ncnc2N2CCCC2)c1
InChIInChI=1S/C15H15ClFN3/c16-14-13(9-11-4-3-5-12(17)8-11)15(19-10-18-14)20-6-1-2-7-20/h3-5,8,10H,1-2,6-7,9H2
InChIKeySWIHAPKDDCEGCC-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.46
Rot. Bonds3

About 4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine

4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine (PubChem CID 57444194) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine
PubChem CID57444194
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine
SMILESFc1cccc(Cc2c(Cl)ncnc2N2CCCC2)c1
InChIInChI=1S/C15H15ClFN3/c16-14-13(9-11-4-3-5-12(17)8-11)15(19-10-18-14)20-6-1-2-7-20/h3-5,8,10H,1-2,6-7,9H2
InChIKeySWIHAPKDDCEGCC-UHFFFAOYSA-N
XLogP3.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

carbanide;4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine;5-[(3-fluorophenyl)methyl]-4-pyrrolidin-1-ylpyrimidine;molecular hydrogen;palladium
CID 159765547
5-chloro-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 166794115
2-azido-4-chloro-5-[(3-chlorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine
CID 91067470
(2-chlorophenyl)-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 1027357
(3,5-dichlorophenyl)-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 1027405
2-(3-fluorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093862
2,2-dichloro-1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 1027354
4-(azepan-1-yl)-1-(3-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 110433696
(2-chlorophenyl)-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 1029933
(4-chlorophenyl)-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 1029700
N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine (CID 57444194) is 4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine is Fc1cccc(Cc2c(Cl)ncnc2N2CCCC2)c1.
What is the InChIKey of 4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is SWIHAPKDDCEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c16-14-13(9-11-4-3-5-12(17)8-11)15(19-10-18-14)20-6-1-2-7-20/h3-5,8,10H,1-2,6-7,9H2.
What are the key properties of 4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine?
4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 291.76 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 57444194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).