N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine

C14H20N4S — CID 133415137

IUPACN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCc2csc(C(C)(C)C)n2)n1
InChIInChI=1S/C14H20N4S/c1-10-5-7-15-13(17-10)16-8-6-11-9-19-12(18-11)14(2,3)4/h5,7,9H,6,8H2,1-4H3,(H,15,16,17)
InChIKeySIXKSEPKOVKLQH-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.19
Rot. Bonds4

About N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine

N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine (PubChem CID 133415137) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine
PubChem CID133415137
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCc2csc(C(C)(C)C)n2)n1
InChIInChI=1S/C14H20N4S/c1-10-5-7-15-13(17-10)16-8-6-11-9-19-12(18-11)14(2,3)4/h5,7,9H,6,8H2,1-4H3,(H,15,16,17)
InChIKeySIXKSEPKOVKLQH-UHFFFAOYSA-N
XLogP3.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
CID 117044287
2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133415084
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971913
4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133415153
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133415163
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine
CID 133304625
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133415181

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine (CID 133415137) is N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCCc2csc(C(C)(C)C)n2)n1.
What is the InChIKey of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine?
The InChIKey is SIXKSEPKOVKLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10-5-7-15-13(17-10)16-8-6-11-9-19-12(18-11)14(2,3)4/h5,7,9H,6,8H2,1-4H3,(H,15,16,17).
What are the key properties of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine?
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133415137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).