1,2-dihydropyrimidine

C4H6N2 — CID 1056

IUPAC1,2-dihydropyrimidine
SMILESC1=CNCN=C1
InChIInChI=1S/C4H6N2/c1-2-5-4-6-3-1/h1-3,5H,4H2
InChIKeyWCFAPJDPAPDDAQ-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.13
Rot. Bonds

About 1,2-dihydropyrimidine

1,2-dihydropyrimidine (PubChem CID 1056) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 1,2-dihydropyrimidine.

Molecular Properties

Compound Name1,2-dihydropyrimidine
PubChem CID1056
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name1,2-dihydropyrimidine
SMILESC1=CNCN=C1
InChIInChI=1S/C4H6N2/c1-2-5-4-6-3-1/h1-3,5H,4H2
InChIKeyWCFAPJDPAPDDAQ-UHFFFAOYSA-N
XLogP0.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrimidine?
The IUPAC name of 1,2-dihydropyrimidine (CID 1056) is 1,2-dihydropyrimidine.
What is the SMILES notation for 1,2-dihydropyrimidine?
The canonical SMILES for 1,2-dihydropyrimidine is C1=CNCN=C1.
What is the InChIKey of 1,2-dihydropyrimidine?
The InChIKey is WCFAPJDPAPDDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c1-2-5-4-6-3-1/h1-3,5H,4H2.
What are the key properties of 1,2-dihydropyrimidine?
1,2-dihydropyrimidine has a molecular weight of 82.11 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrimidine is sourced from PubChem (CID 1056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).