N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine

C14H25N3S — CID 62581954

IUPACN-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine
SMILESCc1cnc(SC(CNC(C)(C)C)C(C)C)nc1
InChIInChI=1S/C14H25N3S/c1-10(2)12(9-17-14(4,5)6)18-13-15-7-11(3)8-16-13/h7-8,10,12,17H,9H2,1-6H3
InChIKeyZVZYQCUDNKKSGJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.29
Rot. Bonds5

About N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine

N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine (PubChem CID 62581954) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine
PubChem CID62581954
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine
SMILESCc1cnc(SC(CNC(C)(C)C)C(C)C)nc1
InChIInChI=1S/C14H25N3S/c1-10(2)12(9-17-14(4,5)6)18-13-15-7-11(3)8-16-13/h7-8,10,12,17H,9H2,1-6H3
InChIKeyZVZYQCUDNKKSGJ-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine (CID 62581954) is N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine is Cc1cnc(SC(CNC(C)(C)C)C(C)C)nc1.
What is the InChIKey of N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine?
The InChIKey is ZVZYQCUDNKKSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)12(9-17-14(4,5)6)18-13-15-7-11(3)8-16-13/h7-8,10,12,17H,9H2,1-6H3.
What are the key properties of N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine?
N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine is sourced from PubChem (CID 62581954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).