4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine

C13H23N3 — CID 78966867

IUPAC4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-9(13(4,5)6)8-14-12-15-10(2)7-11(3)16-12/h7,9H,8H2,1-6H3,(H,14,15,16)
InChIKeyVEPSLWDYGDJGLC-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.19
Rot. Bonds3

About 4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine

4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine (PubChem CID 78966867) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine
PubChem CID78966867
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-9(13(4,5)6)8-14-12-15-10(2)7-11(3)16-12/h7,9H,8H2,1-6H3,(H,14,15,16)
InChIKeyVEPSLWDYGDJGLC-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine (CID 78966867) is 4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine is Cc1cc(C)nc(NCC(C)C(C)(C)C)n1.
What is the InChIKey of 4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine?
The InChIKey is VEPSLWDYGDJGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(13(4,5)6)8-14-12-15-10(2)7-11(3)16-12/h7,9H,8H2,1-6H3,(H,14,15,16).
What are the key properties of 4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine?
4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 78966867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).