N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine

C12H15N3S — CID 80952028

IUPACN-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cccs2)nc(C(C)C)n1
InChIInChI=1S/C12H15N3S/c1-8(2)12-14-9(7-11(13-3)15-12)10-5-4-6-16-10/h4-8H,1-3H3,(H,13,14,15)
InChIKeyCNKITITWNVWGGU-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.37
Rot. Bonds3

About N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine

N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine (PubChem CID 80952028) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine
PubChem CID80952028
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cccs2)nc(C(C)C)n1
InChIInChI=1S/C12H15N3S/c1-8(2)12-14-9(7-11(13-3)15-12)10-5-4-6-16-10/h4-8H,1-3H3,(H,13,14,15)
InChIKeyCNKITITWNVWGGU-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-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

6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952634
6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 115503725
N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 116546243
6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144239
3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine
CID 116892964
6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956022
6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 82169719
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
6-N-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80967059
6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962306
4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106900939
2-(methylamino)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 62197120

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine (CID 80952028) is N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine is CNc1cc(-c2cccs2)nc(C(C)C)n1.
What is the InChIKey of N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is CNKITITWNVWGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8(2)12-14-9(7-11(13-3)15-12)10-5-4-6-16-10/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine?
N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 233.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80952028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).