6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine

C12H15N5 — CID 81133270

IUPAC6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCc2ccnc(C)n2)n1
InChIInChI=1S/C12H15N5/c1-8-3-4-11(13)12(16-8)15-7-10-5-6-14-9(2)17-10/h3-6H,7,13H2,1-2H3,(H,15,16)
InChIKeyMQMOHIQMMHCDPH-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.68
Rot. Bonds3

About 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine

6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine (PubChem CID 81133270) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
PubChem CID81133270
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCc2ccnc(C)n2)n1
InChIInChI=1S/C12H15N5/c1-8-3-4-11(13)12(16-8)15-7-10-5-6-14-9(2)17-10/h3-6H,7,13H2,1-2H3,(H,15,16)
InChIKeyMQMOHIQMMHCDPH-UHFFFAOYSA-N
XLogP1.68
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine (CID 81133270) is 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine is Cc1ccc(N)c(NCc2ccnc(C)n2)n1.
What is the InChIKey of 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine?
The InChIKey is MQMOHIQMMHCDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-3-4-11(13)12(16-8)15-7-10-5-6-14-9(2)17-10/h3-6H,7,13H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine?
6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 81133270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).