3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine

C13H17N3S — CID 116892964

IUPAC3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine
SMILESCc1cc(-c2cccs2)nc(C(C)CCN)n1
InChIInChI=1S/C13H17N3S/c1-9(5-6-14)13-15-10(2)8-11(16-13)12-4-3-7-17-12/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeySSUOBFAKKQESCF-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.97
Rot. Bonds4

About 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine

3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine (PubChem CID 116892964) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine
PubChem CID116892964
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine
SMILESCc1cc(-c2cccs2)nc(C(C)CCN)n1
InChIInChI=1S/C13H17N3S/c1-9(5-6-14)13-15-10(2)8-11(16-13)12-4-3-7-17-12/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeySSUOBFAKKQESCF-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine
CID 116892969
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
CID 116884789
4-methyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine
CID 10889503
N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952028
4-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-2-one
CID 116895472
methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate
CID 116895161
3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid
CID 82192387
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965205
3-methyl-4-thiophen-2-ylpentan-1-amine
CID 83934757
2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
CID 39356102
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine?
The IUPAC name of 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine (CID 116892964) is 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine.
What is the SMILES notation for 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine?
The canonical SMILES for 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine is Cc1cc(-c2cccs2)nc(C(C)CCN)n1.
What is the InChIKey of 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine?
The InChIKey is SSUOBFAKKQESCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(5-6-14)13-15-10(2)8-11(16-13)12-4-3-7-17-12/h3-4,7-9H,5-6,14H2,1-2H3.
What are the key properties of 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine?
3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine has a molecular weight of 247.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine is sourced from PubChem (CID 116892964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).