4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine

C18H18N6 — CID 68624843

IUPAC4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine
SMILESc1cc(C2CC(c3ccncn3)CC(c3ccncn3)C2)ncn1
InChIInChI=1S/C18H18N6/c1-4-19-10-22-16(1)13-7-14(17-2-5-20-11-23-17)9-15(8-13)18-3-6-21-12-24-18/h1-6,10-15H,7-9H2
InChIKeyABALLBNTAQRVOP-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.89
Rot. Bonds3

About 4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine

4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine (PubChem CID 68624843) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine.

Molecular Properties

Compound Name4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine
PubChem CID68624843
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine
SMILESc1cc(C2CC(c3ccncn3)CC(c3ccncn3)C2)ncn1
InChIInChI=1S/C18H18N6/c1-4-19-10-22-16(1)13-7-14(17-2-5-20-11-23-17)9-15(8-13)18-3-6-21-12-24-18/h1-6,10-15H,7-9H2
InChIKeyABALLBNTAQRVOP-UHFFFAOYSA-N
XLogP2.89
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine?
The IUPAC name of 4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine (CID 68624843) is 4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine.
What is the SMILES notation for 4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine?
The canonical SMILES for 4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine is c1cc(C2CC(c3ccncn3)CC(c3ccncn3)C2)ncn1.
What is the InChIKey of 4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine?
The InChIKey is ABALLBNTAQRVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-4-19-10-22-16(1)13-7-14(17-2-5-20-11-23-17)9-15(8-13)18-3-6-21-12-24-18/h1-6,10-15H,7-9H2.
What are the key properties of 4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine?
4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine has a molecular weight of 318.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(pyrimidin-4-yl)cyclohexyl]pyrimidine is sourced from PubChem (CID 68624843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).