5H-pyrimidin-4-imine

C4H5N3 — CID 101048394

IUPAC5H-pyrimidin-4-imine
SMILES[H]/N=C1\CC=NC=N1
InChIInChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h2-3,5H,1H2/b5-4+
InChIKeyGZSVOOSCOJIWOA-SNAWJCMRSA-N
MW95.10 g/mol
LogP0.47
Rot. Bonds

About 5H-pyrimidin-4-imine

5H-pyrimidin-4-imine (PubChem CID 101048394) has the molecular formula C4H5N3 and a molecular weight of 95.10 g/mol. Its IUPAC name is 5H-pyrimidin-4-imine.

Molecular Properties

Compound Name5H-pyrimidin-4-imine
PubChem CID101048394
Molecular FormulaC4H5N3
Molecular Weight95.10 g/mol
Exact Mass95.05
IUPAC Name5H-pyrimidin-4-imine
SMILES[H]/N=C1\CC=NC=N1
InChIInChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h2-3,5H,1H2/b5-4+
InChIKeyGZSVOOSCOJIWOA-SNAWJCMRSA-N
XLogP0.47
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrimidin-4-imine?
The IUPAC name of 5H-pyrimidin-4-imine (CID 101048394) is 5H-pyrimidin-4-imine.
What is the SMILES notation for 5H-pyrimidin-4-imine?
The canonical SMILES for 5H-pyrimidin-4-imine is [H]/N=C1\CC=NC=N1.
What is the InChIKey of 5H-pyrimidin-4-imine?
The InChIKey is GZSVOOSCOJIWOA-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h2-3,5H,1H2/b5-4+.
What are the key properties of 5H-pyrimidin-4-imine?
5H-pyrimidin-4-imine has a molecular weight of 95.10 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrimidin-4-imine is sourced from PubChem (CID 101048394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).