N-methyl-2-methylidene-1H-pyrimidin-4-imine

C6H9N3 — CID 147340956

IUPACN-methyl-2-methylidene-1H-pyrimidin-4-imine
SMILESC=C1NC=C/C(=N\C)N1
InChIInChI=1S/C6H9N3/c1-5-8-4-3-6(7-2)9-5/h3-4,8H,1H2,2H3,(H,7,9)
InChIKeyDDLYHRUHBVQVQA-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.19
Rot. Bonds

About N-methyl-2-methylidene-1H-pyrimidin-4-imine

N-methyl-2-methylidene-1H-pyrimidin-4-imine (PubChem CID 147340956) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-methyl-2-methylidene-1H-pyrimidin-4-imine.

Molecular Properties

Compound NameN-methyl-2-methylidene-1H-pyrimidin-4-imine
PubChem CID147340956
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-methyl-2-methylidene-1H-pyrimidin-4-imine
SMILESC=C1NC=C/C(=N\C)N1
InChIInChI=1S/C6H9N3/c1-5-8-4-3-6(7-2)9-5/h3-4,8H,1H2,2H3,(H,7,9)
InChIKeyDDLYHRUHBVQVQA-UHFFFAOYSA-N
XLogP0.19
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dihydro-4-pyrimidinamine
CID 135398678
Pyrimidine, 2-amino-1,4-dihydro-4-imino-1-methyl-
CID 101145593
Pyrimidine, 1,2-dihydro-2-imino-1-methyl-4-methylamino-
CID 55287407
Pyrimidine, 2-dimethylamino-1,4-dihydro-4-imino-1-methyl-
CID 171383875
Pyrimidine, 1,4-dihydro-4-imino-1-methyl-2-methylamino-
CID 171384357
Deoxy-methyl-cytosine
CID 136503713
1-Methyl 2,4-diaminopyrimidine
CID 143466155
6-Fluoro-4,5-dihydroimidazo[1,2-c]pyrimidin-4-ium
CID 173562500
4-fluoro-2-methyl-1H-pyrimidin-4-amine
CID 176199382
2-Methyl-1,4-dihydropyrimidine
CID 13432429
carbanide;N-methyl-2H-pyrimidin-2-id-4-amine;vanadium(2+)
CID 20644795
1,2,2-Trimethylpyrimidin-4-amine
CID 20694654

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-1H-pyrimidin-4-imine?
The IUPAC name of N-methyl-2-methylidene-1H-pyrimidin-4-imine (CID 147340956) is N-methyl-2-methylidene-1H-pyrimidin-4-imine.
What is the SMILES notation for N-methyl-2-methylidene-1H-pyrimidin-4-imine?
The canonical SMILES for N-methyl-2-methylidene-1H-pyrimidin-4-imine is C=C1NC=C/C(=N\C)N1.
What is the InChIKey of N-methyl-2-methylidene-1H-pyrimidin-4-imine?
The InChIKey is DDLYHRUHBVQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-8-4-3-6(7-2)9-5/h3-4,8H,1H2,2H3,(H,7,9).
What are the key properties of N-methyl-2-methylidene-1H-pyrimidin-4-imine?
N-methyl-2-methylidene-1H-pyrimidin-4-imine has a molecular weight of 123.16 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-1H-pyrimidin-4-imine is sourced from PubChem (CID 147340956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).