6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine

C9H12N4 — CID 126593456

IUPAC6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine
SMILESC=C(C)/C=N/c1c(C)ncnc1N
InChIInChI=1S/C9H12N4/c1-6(2)4-11-8-7(3)12-5-13-9(8)10/h4-5H,1H2,2-3H3,(H2,10,12,13)/b11-4+
InChIKeyXBGLYDZECXYZIF-NYYWCZLTSA-N
MW176.22 g/mol
LogP1.65
Rot. Bonds2

About 6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine

6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine (PubChem CID 126593456) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine
PubChem CID126593456
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine
SMILESC=C(C)/C=N/c1c(C)ncnc1N
InChIInChI=1S/C9H12N4/c1-6(2)4-11-8-7(3)12-5-13-9(8)10/h4-5H,1H2,2-3H3,(H2,10,12,13)/b11-4+
InChIKeyXBGLYDZECXYZIF-NYYWCZLTSA-N
XLogP1.65
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine?
The IUPAC name of 6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine (CID 126593456) is 6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine is C=C(C)/C=N/c1c(C)ncnc1N.
What is the InChIKey of 6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine?
The InChIKey is XBGLYDZECXYZIF-NYYWCZLTSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)4-11-8-7(3)12-5-13-9(8)10/h4-5H,1H2,2-3H3,(H2,10,12,13)/b11-4+.
What are the key properties of 6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine?
6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine has a molecular weight of 176.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine is sourced from PubChem (CID 126593456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).