6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine

C15H27N3 — CID 135201749

IUPAC6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
SMILESCCc1cc(NC(C)(C)CC(C)(C)C)nc(C)n1
InChIInChI=1S/C15H27N3/c1-8-12-9-13(17-11(2)16-12)18-15(6,7)10-14(3,4)5/h9H,8,10H2,1-7H3,(H,16,17,18)
InChIKeyAZIOWILJTNUJGK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.97
Rot. Bonds4

About 6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine

6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine (PubChem CID 135201749) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
PubChem CID135201749
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
SMILESCCc1cc(NC(C)(C)CC(C)(C)C)nc(C)n1
InChIInChI=1S/C15H27N3/c1-8-12-9-13(17-11(2)16-12)18-15(6,7)10-14(3,4)5/h9H,8,10H2,1-7H3,(H,16,17,18)
InChIKeyAZIOWILJTNUJGK-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(6-ethyl-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284109
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine
CID 113283635
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine
CID 106354467
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
CID 114208177
N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 106252837
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357883
6-hydrazinyl-2-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80921159
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133461543
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80955169

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine (CID 135201749) is 6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine is CCc1cc(NC(C)(C)CC(C)(C)C)nc(C)n1.
What is the InChIKey of 6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is AZIOWILJTNUJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-8-12-9-13(17-11(2)16-12)18-15(6,7)10-14(3,4)5/h9H,8,10H2,1-7H3,(H,16,17,18).
What are the key properties of 6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 135201749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).