2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine

C11H20N4 — CID 80753695

IUPAC2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NC(C)C(C)C)n1
InChIInChI=1S/C11H20N4/c1-7(2)9(4)14-10-8(3)6-13-11(12-5)15-10/h6-7,9H,1-5H3,(H2,12,13,14,15)
InChIKeyQYXISHLYGYYTRF-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.28
Rot. Bonds4

About 2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine

2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80753695) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID80753695
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NC(C)C(C)C)n1
InChIInChI=1S/C11H20N4/c1-7(2)9(4)14-10-8(3)6-13-11(12-5)15-10/h6-7,9H,1-5H3,(H2,12,13,14,15)
InChIKeyQYXISHLYGYYTRF-UHFFFAOYSA-N
XLogP2.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine (CID 80753695) is 2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine is CNc1ncc(C)c(NC(C)C(C)C)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is QYXISHLYGYYTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-7(2)9(4)14-10-8(3)6-13-11(12-5)15-10/h6-7,9H,1-5H3,(H2,12,13,14,15).
What are the key properties of 2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80753695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).