4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine

C16H16Cl2N2 — CID 65430266

IUPAC4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine
SMILESCC1CCC(c2nc(Cl)c(-c3ccccc3)c(Cl)n2)C1
InChIInChI=1S/C16H16Cl2N2/c1-10-7-8-12(9-10)16-19-14(17)13(15(18)20-16)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyGXLJDWHCSFVDPQ-UHFFFAOYSA-N
MW307.22 g/mol
LogP5.35
Rot. Bonds2

About 4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine

4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine (PubChem CID 65430266) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine
PubChem CID65430266
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine
SMILESCC1CCC(c2nc(Cl)c(-c3ccccc3)c(Cl)n2)C1
InChIInChI=1S/C16H16Cl2N2/c1-10-7-8-12(9-10)16-19-14(17)13(15(18)20-16)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyGXLJDWHCSFVDPQ-UHFFFAOYSA-N
XLogP5.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.22
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine
CID 79431894
4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine
CID 65429518
4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine
CID 112569446
4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
CID 63404866
4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine
CID 66295009
4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine
CID 63611976
4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
CID 63611823
5-(4-bromophenyl)-4,6-dichloro-2-(2-methylcyclopropyl)pyrimidine
CID 79437545
(3-methylcyclopentyl)benzene;propane
CID 142973096
3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401426
6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine
CID 114549259
6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine
CID 71428128

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine (CID 65430266) is 4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine is CC1CCC(c2nc(Cl)c(-c3ccccc3)c(Cl)n2)C1.
What is the InChIKey of 4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine?
The InChIKey is GXLJDWHCSFVDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c1-10-7-8-12(9-10)16-19-14(17)13(15(18)20-16)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine?
4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine has a molecular weight of 307.22 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine is sourced from PubChem (CID 65430266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).