N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine

C8H13N3 — CID 137123599

IUPACN,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine
SMILESC=C1N/C(=N/C)NC(C)=C1C
InChIInChI=1S/C8H13N3/c1-5-6(2)10-8(9-4)11-7(5)3/h2H2,1,3-4H3,(H2,9,10,11)
InChIKeyHUGGGFCDIHPILY-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.97
Rot. Bonds

About N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine

N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine (PubChem CID 137123599) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine.

Molecular Properties

Compound NameN,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine
PubChem CID137123599
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine
SMILESC=C1N/C(=N/C)NC(C)=C1C
InChIInChI=1S/C8H13N3/c1-5-6(2)10-8(9-4)11-7(5)3/h2H2,1,3-4H3,(H2,9,10,11)
InChIKeyHUGGGFCDIHPILY-UHFFFAOYSA-N
XLogP0.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.97
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,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine?
The IUPAC name of N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine (CID 137123599) is N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine.
What is the SMILES notation for N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine?
The canonical SMILES for N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine is C=C1N/C(=N/C)NC(C)=C1C.
What is the InChIKey of N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine?
The InChIKey is HUGGGFCDIHPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-6(2)10-8(9-4)11-7(5)3/h2H2,1,3-4H3,(H2,9,10,11).
What are the key properties of N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine?
N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine has a molecular weight of 151.21 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine is sourced from PubChem (CID 137123599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).