1,4-dihydropyrimidine

C4H6N2 — CID 5248048

IUPAC1,4-dihydropyrimidine
SMILESC1=CNC=NC1
InChIInChI=1S/C4H6N2/c1-2-5-4-6-3-1/h1-2,4H,3H2,(H,5,6)
InChIKeyOKGNMRKOGWTADH-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.13
Rot. Bonds

About 1,4-dihydropyrimidine

1,4-dihydropyrimidine (PubChem CID 5248048) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 1,4-dihydropyrimidine.

Molecular Properties

Compound Name1,4-dihydropyrimidine
PubChem CID5248048
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name1,4-dihydropyrimidine
SMILESC1=CNC=NC1
InChIInChI=1S/C4H6N2/c1-2-5-4-6-3-1/h1-2,4H,3H2,(H,5,6)
InChIKeyOKGNMRKOGWTADH-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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Related Compounds

1H-1,3-Diazepine
CID 12312962
2-Amino-1,4-dihydropyrimidine
CID 10290750
4-Methylene-pyrimidine
CID 45080137
Selenoxotetrahydropyrimidine
CID 138858457
4,6-Difluoro-1,4-dihydropyrimidine
CID 21259053
4,4-difluoro-1H-pyrimidine;hydrochloride
CID 66850003
4,4-difluoro-1H-pyrimidine
CID 66850004
2-Fluoro-1,4-dihydropyrimidine
CID 89428894
6-Fluoro-1,4-dihydropyrimidine
CID 130243578
4-chloro-4-fluoro-1H-pyrimidine
CID 173586223
2-Hydroxyimino-1,2,3,4-tetrahydropyrimidine
CID 129871886
1H-1,3-diazepine;hydrobromide
CID 20542620

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrimidine?
The IUPAC name of 1,4-dihydropyrimidine (CID 5248048) is 1,4-dihydropyrimidine.
What is the SMILES notation for 1,4-dihydropyrimidine?
The canonical SMILES for 1,4-dihydropyrimidine is C1=CNC=NC1.
What is the InChIKey of 1,4-dihydropyrimidine?
The InChIKey is OKGNMRKOGWTADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c1-2-5-4-6-3-1/h1-2,4H,3H2,(H,5,6).
What are the key properties of 1,4-dihydropyrimidine?
1,4-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 1,4-dihydropyrimidine is sourced from PubChem (CID 5248048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).