4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine

C12H15N3S — CID 102838569

IUPAC4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2ccsc2C)n1
InChIInChI=1S/C12H15N3S/c1-3-6-13-12-14-7-4-11(15-12)10-5-8-16-9(10)2/h4-5,7-8H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyPZWFUNLFSAKFHY-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.34
Rot. Bonds4

About 4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine

4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine (PubChem CID 102838569) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine
PubChem CID102838569
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2ccsc2C)n1
InChIInChI=1S/C12H15N3S/c1-3-6-13-12-14-7-4-11(15-12)10-5-8-16-9(10)2/h4-5,7-8H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyPZWFUNLFSAKFHY-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylthiophen-3-yl)-N-propylpyridin-2-amine
CID 102838364
4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80854631
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352
4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine
CID 102754134
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80807385
6-(2-methylthiophen-3-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102838356
2-(methoxymethyl)-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838411
4-(5-methyl-3-pyridinyl)-N-propylpyrimidin-2-amine
CID 115375546
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 102838564
4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80886291
2-methyl-N-propylthiophen-3-amine
CID 90965556

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine (CID 102838569) is 4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine is CCCNc1nccc(-c2ccsc2C)n1.
What is the InChIKey of 4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine?
The InChIKey is PZWFUNLFSAKFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-6-13-12-14-7-4-11(15-12)10-5-8-16-9(10)2/h4-5,7-8H,3,6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine?
4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 102838569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).