2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine

C11H20N4 — CID 116797252

IUPAC2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
SMILESCC(CNc1nccc(N)n1)C(C)(C)C
InChIInChI=1S/C11H20N4/c1-8(11(2,3)4)7-14-10-13-6-5-9(12)15-10/h5-6,8H,7H2,1-4H3,(H3,12,13,14,15)
InChIKeyZPTVJGFBTMLETD-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.15
Rot. Bonds3

About 2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine

2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine (PubChem CID 116797252) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
PubChem CID116797252
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
SMILESCC(CNc1nccc(N)n1)C(C)(C)C
InChIInChI=1S/C11H20N4/c1-8(11(2,3)4)7-14-10-13-6-5-9(12)15-10/h5-6,8H,7H2,1-4H3,(H3,12,13,14,15)
InChIKeyZPTVJGFBTMLETD-UHFFFAOYSA-N
XLogP2.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine (CID 116797252) is 2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine is CC(CNc1nccc(N)n1)C(C)(C)C.
What is the InChIKey of 2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
The InChIKey is ZPTVJGFBTMLETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(11(2,3)4)7-14-10-13-6-5-9(12)15-10/h5-6,8H,7H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine?
2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).