4,6-di(pyrimidin-2-yl)pyrimidine

C12H8N6 — CID 118245415

IUPAC4,6-di(pyrimidin-2-yl)pyrimidine
SMILESc1cnc(-c2cc(-c3ncccn3)ncn2)nc1
InChIInChI=1S/C12H8N6/c1-3-13-11(14-4-1)9-7-10(18-8-17-9)12-15-5-2-6-16-12/h1-8H
InChIKeyKCWFOPGNHGSMRF-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.39
Rot. Bonds2

About 4,6-di(pyrimidin-2-yl)pyrimidine

4,6-di(pyrimidin-2-yl)pyrimidine (PubChem CID 118245415) has the molecular formula C12H8N6 and a molecular weight of 236.24 g/mol. Its IUPAC name is 4,6-di(pyrimidin-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-di(pyrimidin-2-yl)pyrimidine
PubChem CID118245415
Molecular FormulaC12H8N6
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name4,6-di(pyrimidin-2-yl)pyrimidine
SMILESc1cnc(-c2cc(-c3ncccn3)ncn2)nc1
InChIInChI=1S/C12H8N6/c1-3-13-11(14-4-1)9-7-10(18-8-17-9)12-15-5-2-6-16-12/h1-8H
InChIKeyKCWFOPGNHGSMRF-UHFFFAOYSA-N
XLogP1.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(pyrimidin-2-yl)pyrimidine?
The IUPAC name of 4,6-di(pyrimidin-2-yl)pyrimidine (CID 118245415) is 4,6-di(pyrimidin-2-yl)pyrimidine.
What is the SMILES notation for 4,6-di(pyrimidin-2-yl)pyrimidine?
The canonical SMILES for 4,6-di(pyrimidin-2-yl)pyrimidine is c1cnc(-c2cc(-c3ncccn3)ncn2)nc1.
What is the InChIKey of 4,6-di(pyrimidin-2-yl)pyrimidine?
The InChIKey is KCWFOPGNHGSMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6/c1-3-13-11(14-4-1)9-7-10(18-8-17-9)12-15-5-2-6-16-12/h1-8H.
What are the key properties of 4,6-di(pyrimidin-2-yl)pyrimidine?
4,6-di(pyrimidin-2-yl)pyrimidine has a molecular weight of 236.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(pyrimidin-2-yl)pyrimidine is sourced from PubChem (CID 118245415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).