2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine

C11H14N6 — CID 114112685

IUPAC2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCc2ccncn2)n1
InChIInChI=1S/C11H14N6/c1-8-5-15-11(12-2)17-10(8)14-6-9-3-4-13-7-16-9/h3-5,7H,6H2,1-2H3,(H2,12,14,15,17)
InChIKeyYXMCELVJRDRGNE-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.23
Rot. Bonds4

About 2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine

2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 114112685) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID114112685
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCc2ccncn2)n1
InChIInChI=1S/C11H14N6/c1-8-5-15-11(12-2)17-10(8)14-6-9-3-4-13-7-16-9/h3-5,7H,6H2,1-2H3,(H2,12,14,15,17)
InChIKeyYXMCELVJRDRGNE-UHFFFAOYSA-N
XLogP1.23
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine (CID 114112685) is 2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(C)c(NCc2ccncn2)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is YXMCELVJRDRGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-8-5-15-11(12-2)17-10(8)14-6-9-3-4-13-7-16-9/h3-5,7H,6H2,1-2H3,(H2,12,14,15,17).
What are the key properties of 2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 230.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114112685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).