N-methyl-3,4-dihydro-1H-pyrimidin-2-imine

C5H9N3 — CID 138581153

IUPACN-methyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESC/N=C1\NC=CCN1
InChIInChI=1S/C5H9N3/c1-6-5-7-3-2-4-8-5/h2-3H,4H2,1H3,(H2,6,7,8)
InChIKeyJZJSOBFJVFWBJC-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.32
Rot. Bonds

About N-methyl-3,4-dihydro-1H-pyrimidin-2-imine

N-methyl-3,4-dihydro-1H-pyrimidin-2-imine (PubChem CID 138581153) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-methyl-3,4-dihydro-1H-pyrimidin-2-imine.

Molecular Properties

Compound NameN-methyl-3,4-dihydro-1H-pyrimidin-2-imine
PubChem CID138581153
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-methyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESC/N=C1\NC=CCN1
InChIInChI=1S/C5H9N3/c1-6-5-7-3-2-4-8-5/h2-3H,4H2,1H3,(H2,6,7,8)
InChIKeyJZJSOBFJVFWBJC-UHFFFAOYSA-N
XLogP-0.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 N-methyl-3,4-dihydro-1H-pyrimidin-2-imine?
The IUPAC name of N-methyl-3,4-dihydro-1H-pyrimidin-2-imine (CID 138581153) is N-methyl-3,4-dihydro-1H-pyrimidin-2-imine.
What is the SMILES notation for N-methyl-3,4-dihydro-1H-pyrimidin-2-imine?
The canonical SMILES for N-methyl-3,4-dihydro-1H-pyrimidin-2-imine is C/N=C1\NC=CCN1.
What is the InChIKey of N-methyl-3,4-dihydro-1H-pyrimidin-2-imine?
The InChIKey is JZJSOBFJVFWBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-6-5-7-3-2-4-8-5/h2-3H,4H2,1H3,(H2,6,7,8).
What are the key properties of N-methyl-3,4-dihydro-1H-pyrimidin-2-imine?
N-methyl-3,4-dihydro-1H-pyrimidin-2-imine has a molecular weight of 111.15 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4-dihydro-1H-pyrimidin-2-imine is sourced from PubChem (CID 138581153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).