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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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).