2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine

C14H23N3 — CID 133398459

IUPAC2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine
SMILESCN(CCC1CC1)c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C14H23N3/c1-14(2,3)13-15-9-7-12(16-13)17(4)10-8-11-5-6-11/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyLBKSUCYBILJBNY-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.01
Rot. Bonds4

About 2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine

2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine (PubChem CID 133398459) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine
PubChem CID133398459
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine
SMILESCN(CCC1CC1)c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C14H23N3/c1-14(2,3)13-15-9-7-12(16-13)17(4)10-8-11-5-6-11/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyLBKSUCYBILJBNY-UHFFFAOYSA-N
XLogP3.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine (CID 133398459) is 2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine is CN(CCC1CC1)c1ccnc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine?
The InChIKey is LBKSUCYBILJBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2,3)13-15-9-7-12(16-13)17(4)10-8-11-5-6-11/h7,9,11H,5-6,8,10H2,1-4H3.
What are the key properties of 2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine?
2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 133398459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).