3-methyl-1,2-dihydropyrimidin-4-imine

C5H9N3 — CID 136503713

IUPAC3-methyl-1,2-dihydropyrimidin-4-imine
SMILES[H]/N=C1\C=CNCN1C
InChIInChI=1S/C5H9N3/c1-8-4-7-3-2-5(8)6/h2-3,6-7H,4H2,1H3/b6-5+
InChIKeyUPZPJIPCOOTVON-AATRIKPKSA-N
MW111.15 g/mol
LogP-0.03
Rot. Bonds

About 3-methyl-1,2-dihydropyrimidin-4-imine

3-methyl-1,2-dihydropyrimidin-4-imine (PubChem CID 136503713) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3-methyl-1,2-dihydropyrimidin-4-imine.

Molecular Properties

Compound Name3-methyl-1,2-dihydropyrimidin-4-imine
PubChem CID136503713
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3-methyl-1,2-dihydropyrimidin-4-imine
SMILES[H]/N=C1\C=CNCN1C
InChIInChI=1S/C5H9N3/c1-8-4-7-3-2-5(8)6/h2-3,6-7H,4H2,1H3/b6-5+
InChIKeyUPZPJIPCOOTVON-AATRIKPKSA-N
XLogP-0.03
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
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 3-methyl-1,2-dihydropyrimidin-4-imine?
The IUPAC name of 3-methyl-1,2-dihydropyrimidin-4-imine (CID 136503713) is 3-methyl-1,2-dihydropyrimidin-4-imine.
What is the SMILES notation for 3-methyl-1,2-dihydropyrimidin-4-imine?
The canonical SMILES for 3-methyl-1,2-dihydropyrimidin-4-imine is [H]/N=C1\C=CNCN1C.
What is the InChIKey of 3-methyl-1,2-dihydropyrimidin-4-imine?
The InChIKey is UPZPJIPCOOTVON-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9N3/c1-8-4-7-3-2-5(8)6/h2-3,6-7H,4H2,1H3/b6-5+.
What are the key properties of 3-methyl-1,2-dihydropyrimidin-4-imine?
3-methyl-1,2-dihydropyrimidin-4-imine has a molecular weight of 111.15 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-dihydropyrimidin-4-imine is sourced from PubChem (CID 136503713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).