6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine

C15H21N3S — CID 79992418

IUPAC6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2sccc2C)c1CCC
InChIInChI=1S/C15H21N3S/c1-4-6-12-13(14-11(3)7-9-19-14)17-10-18-15(12)16-8-5-2/h7,9-10H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeyWRMZFXZVYACALL-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.29
Rot. Bonds6

About 6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine

6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine (PubChem CID 79992418) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine
PubChem CID79992418
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2sccc2C)c1CCC
InChIInChI=1S/C15H21N3S/c1-4-6-12-13(14-11(3)7-9-19-14)17-10-18-15(12)16-8-5-2/h7,9-10H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeyWRMZFXZVYACALL-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 115504286
6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 79691423
6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine
CID 106646745
5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79819683
6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
6-(3-chlorothiophen-2-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 107361032
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
CID 115504253
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80977443
N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine
CID 116823253
6-N-ethyl-4-N-[(3-ethylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80839995

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine (CID 79992418) is 6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(-c2sccc2C)c1CCC.
What is the InChIKey of 6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is WRMZFXZVYACALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-6-12-13(14-11(3)7-9-19-14)17-10-18-15(12)16-8-5-2/h7,9-10H,4-6,8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine?
6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 79992418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).