N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine

C13H17N3S — CID 80945811

IUPACN-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2ccc(C)s2)n1
InChIInChI=1S/C13H17N3S/c1-4-5-12-15-10(8-13(14-3)16-12)11-7-6-9(2)17-11/h6-8H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyWPIOMYCBUDEFAX-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.51
Rot. Bonds4

About N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine

N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine (PubChem CID 80945811) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
PubChem CID80945811
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2ccc(C)s2)n1
InChIInChI=1S/C13H17N3S/c1-4-5-12-15-10(8-13(14-3)16-12)11-7-6-9(2)17-11/h6-8H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyWPIOMYCBUDEFAX-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 82822927
6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945080
6-(furan-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945903
N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80946552
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80940706
6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 113324696
6-(3-methoxyphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946276
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081
2-butyl-N-methyl-6-phenylpyrimidin-4-amine
CID 79412255

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine (CID 80945811) is N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(-c2ccc(C)s2)n1.
What is the InChIKey of N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine?
The InChIKey is WPIOMYCBUDEFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-5-12-15-10(8-13(14-3)16-12)11-7-6-9(2)17-11/h6-8H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine?
N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80945811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).