N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine

C12H12N4 — CID 174183177

IUPACN-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine
SMILESC=Nc1ncc(-c2ccnc(C)n2)cc1C
InChIInChI=1S/C12H12N4/c1-8-6-10(7-15-12(8)13-3)11-4-5-14-9(2)16-11/h4-7H,3H2,1-2H3
InChIKeyYBWBMIMPWRTTJL-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.49
Rot. Bonds2

About N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine

N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine (PubChem CID 174183177) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine
PubChem CID174183177
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC NameN-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine
SMILESC=Nc1ncc(-c2ccnc(C)n2)cc1C
InChIInChI=1S/C12H12N4/c1-8-6-10(7-15-12(8)13-3)11-4-5-14-9(2)16-11/h4-7H,3H2,1-2H3
InChIKeyYBWBMIMPWRTTJL-UHFFFAOYSA-N
XLogP2.49
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
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 N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine?
The IUPAC name of N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine (CID 174183177) is N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine.
What is the SMILES notation for N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine?
The canonical SMILES for N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine is C=Nc1ncc(-c2ccnc(C)n2)cc1C.
What is the InChIKey of N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine?
The InChIKey is YBWBMIMPWRTTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8-6-10(7-15-12(8)13-3)11-4-5-14-9(2)16-11/h4-7H,3H2,1-2H3.
What are the key properties of N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine?
N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine has a molecular weight of 212.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]methanimine is sourced from PubChem (CID 174183177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).