4,5-dihydropyrimidine

C4H6N2 — CID 21336453

IUPAC4,5-dihydropyrimidine
SMILESC1=NC=NCC1
InChIInChI=1S/C4H6N2/c1-2-5-4-6-3-1/h2,4H,1,3H2
InChIKeyBBZZGDLNBVRFFI-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.49
Rot. Bonds

About 4,5-dihydropyrimidine

4,5-dihydropyrimidine (PubChem CID 21336453) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 4,5-dihydropyrimidine.

Molecular Properties

Compound Name4,5-dihydropyrimidine
PubChem CID21336453
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name4,5-dihydropyrimidine
SMILESC1=NC=NCC1
InChIInChI=1S/C4H6N2/c1-2-5-4-6-3-1/h2,4H,1,3H2
InChIKeyBBZZGDLNBVRFFI-UHFFFAOYSA-N
XLogP0.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Fluoro-5,6-dihydropyrimidine
CID 21434605
4,5-Dihydropyrimidinamin
CID 10313081
Pyrimidin-4 [5h] thione
CID 17888379
2,5-Dihydropyrimidine
CID 21865347
5(4H)-Pyrimidinimine
CID 53430869
6H-1,2,4-triazepine
CID 57208227
2-Fluoro-4,5-dihydropyrimidine
CID 174964600
4-Methyl-4,5-dihydropyrimidine
CID 23392097
2,5-Dihydropyrimidin-4-amine
CID 54160096
N'-ethyl-N-propylidenemethanimidamide
CID 58975953
6-Iodo-4,5-dihydropyrimidine
CID 68058031
2-Methyl-2,5-dihydropyrimidine
CID 68099562

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydropyrimidine?
The IUPAC name of 4,5-dihydropyrimidine (CID 21336453) is 4,5-dihydropyrimidine.
What is the SMILES notation for 4,5-dihydropyrimidine?
The canonical SMILES for 4,5-dihydropyrimidine is C1=NC=NCC1.
What is the InChIKey of 4,5-dihydropyrimidine?
The InChIKey is BBZZGDLNBVRFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c1-2-5-4-6-3-1/h2,4H,1,3H2.
What are the key properties of 4,5-dihydropyrimidine?
4,5-dihydropyrimidine has a molecular weight of 82.11 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydropyrimidine is sourced from PubChem (CID 21336453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).