5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine

C11H14N6 — CID 80813252

IUPAC5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1nccc(CNc2ncnc(N)c2C)n1
InChIInChI=1S/C11H14N6/c1-7-10(12)15-6-16-11(7)14-5-9-3-4-13-8(2)17-9/h3-4,6H,5H2,1-2H3,(H3,12,14,15,16)
InChIKeyPEXIDUFQRZQFMV-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.08
Rot. Bonds3

About 5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine

5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80813252) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80813252
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1nccc(CNc2ncnc(N)c2C)n1
InChIInChI=1S/C11H14N6/c1-7-10(12)15-6-16-11(7)14-5-9-3-4-13-8(2)17-9/h3-4,6H,5H2,1-2H3,(H3,12,14,15,16)
InChIKeyPEXIDUFQRZQFMV-UHFFFAOYSA-N
XLogP1.08
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine (CID 80813252) is 5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine is Cc1nccc(CNc2ncnc(N)c2C)n1.
What is the InChIKey of 5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is PEXIDUFQRZQFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-7-10(12)15-6-16-11(7)14-5-9-3-4-13-8(2)17-9/h3-4,6H,5H2,1-2H3,(H3,12,14,15,16).
What are the key properties of 5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine?
5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 230.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80813252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).