N,1,3-trimethyl-4H-pyrimidin-2-imine

C7H13N3 — CID 21134148

IUPACN,1,3-trimethyl-4H-pyrimidin-2-imine
SMILESC/N=C1\N(C)C=CCN1C
InChIInChI=1S/C7H13N3/c1-8-7-9(2)5-4-6-10(7)3/h4-5H,6H2,1-3H3/b8-7+
InChIKeyGZDZOXJVXLQPBM-BQYQJAHWSA-N
MW139.20 g/mol
LogP0.36
Rot. Bonds

About N,1,3-trimethyl-4H-pyrimidin-2-imine

N,1,3-trimethyl-4H-pyrimidin-2-imine (PubChem CID 21134148) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N,1,3-trimethyl-4H-pyrimidin-2-imine.

Molecular Properties

Compound NameN,1,3-trimethyl-4H-pyrimidin-2-imine
PubChem CID21134148
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN,1,3-trimethyl-4H-pyrimidin-2-imine
SMILESC/N=C1\N(C)C=CCN1C
InChIInChI=1S/C7H13N3/c1-8-7-9(2)5-4-6-10(7)3/h4-5H,6H2,1-3H3/b8-7+
InChIKeyGZDZOXJVXLQPBM-BQYQJAHWSA-N
XLogP0.36
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.36
H-Bond Donors ≤ 50
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,1,3-trimethyl-4H-pyrimidin-2-imine?
The IUPAC name of N,1,3-trimethyl-4H-pyrimidin-2-imine (CID 21134148) is N,1,3-trimethyl-4H-pyrimidin-2-imine.
What is the SMILES notation for N,1,3-trimethyl-4H-pyrimidin-2-imine?
The canonical SMILES for N,1,3-trimethyl-4H-pyrimidin-2-imine is C/N=C1\N(C)C=CCN1C.
What is the InChIKey of N,1,3-trimethyl-4H-pyrimidin-2-imine?
The InChIKey is GZDZOXJVXLQPBM-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N3/c1-8-7-9(2)5-4-6-10(7)3/h4-5H,6H2,1-3H3/b8-7+.
What are the key properties of N,1,3-trimethyl-4H-pyrimidin-2-imine?
N,1,3-trimethyl-4H-pyrimidin-2-imine has a molecular weight of 139.20 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4H-pyrimidin-2-imine is sourced from PubChem (CID 21134148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).