4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine

C16H18ClN3 — CID 166612775

IUPAC4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCC(Cc3ccc(Cl)cc3)C2)ncn1
InChIInChI=1S/C16H18ClN3/c1-12-8-16(19-11-18-12)20-7-6-14(10-20)9-13-2-4-15(17)5-3-13/h2-5,8,11,14H,6-7,9-10H2,1H3
InChIKeyPRWPCQFNHZEITF-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.51
Rot. Bonds3

About 4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine

4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine (PubChem CID 166612775) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine
PubChem CID166612775
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCC(Cc3ccc(Cl)cc3)C2)ncn1
InChIInChI=1S/C16H18ClN3/c1-12-8-16(19-11-18-12)20-7-6-14(10-20)9-13-2-4-15(17)5-3-13/h2-5,8,11,14H,6-7,9-10H2,1H3
InChIKeyPRWPCQFNHZEITF-UHFFFAOYSA-N
XLogP3.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124945029
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 129336018
4-methyl-6-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrimidine
CID 110270901
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 95829142
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine (CID 166612775) is 4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine is Cc1cc(N2CCC(Cc3ccc(Cl)cc3)C2)ncn1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine?
The InChIKey is PRWPCQFNHZEITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-12-8-16(19-11-18-12)20-7-6-14(10-20)9-13-2-4-15(17)5-3-13/h2-5,8,11,14H,6-7,9-10H2,1H3.
What are the key properties of 4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine?
4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine has a molecular weight of 287.79 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 166612775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).