2-(2,5-dihydropyrimidin-2-yl)pyrimidine

C8H8N4 — CID 123732462

IUPAC2-(2,5-dihydropyrimidin-2-yl)pyrimidine
SMILESC1=NC(c2ncccn2)N=CC1
InChIInChI=1S/C8H8N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1,3-6,8H,2H2
InChIKeyDMGCNUKPHVDFCH-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.02
Rot. Bonds1

About 2-(2,5-dihydropyrimidin-2-yl)pyrimidine

2-(2,5-dihydropyrimidin-2-yl)pyrimidine (PubChem CID 123732462) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(2,5-dihydropyrimidin-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(2,5-dihydropyrimidin-2-yl)pyrimidine
PubChem CID123732462
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2-(2,5-dihydropyrimidin-2-yl)pyrimidine
SMILESC1=NC(c2ncccn2)N=CC1
InChIInChI=1S/C8H8N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1,3-6,8H,2H2
InChIKeyDMGCNUKPHVDFCH-UHFFFAOYSA-N
XLogP1.02
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrimidin-2-yl)pyrimidine?
The IUPAC name of 2-(2,5-dihydropyrimidin-2-yl)pyrimidine (CID 123732462) is 2-(2,5-dihydropyrimidin-2-yl)pyrimidine.
What is the SMILES notation for 2-(2,5-dihydropyrimidin-2-yl)pyrimidine?
The canonical SMILES for 2-(2,5-dihydropyrimidin-2-yl)pyrimidine is C1=NC(c2ncccn2)N=CC1.
What is the InChIKey of 2-(2,5-dihydropyrimidin-2-yl)pyrimidine?
The InChIKey is DMGCNUKPHVDFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1,3-6,8H,2H2.
What are the key properties of 2-(2,5-dihydropyrimidin-2-yl)pyrimidine?
2-(2,5-dihydropyrimidin-2-yl)pyrimidine has a molecular weight of 160.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrimidin-2-yl)pyrimidine is sourced from PubChem (CID 123732462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).