N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine

C14H19N3S — CID 54953837

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC(C)c2ccc(C)s2)ncn1
InChIInChI=1S/C14H19N3S/c1-4-5-12-8-14(16-9-15-12)17-11(3)13-7-6-10(2)18-13/h6-9,11H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyKUBUSBHJSAQCJO-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine

N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine (PubChem CID 54953837) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine
PubChem CID54953837
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC(C)c2ccc(C)s2)ncn1
InChIInChI=1S/C14H19N3S/c1-4-5-12-8-14(16-9-15-12)17-11(3)13-7-6-10(2)18-13/h6-9,11H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyKUBUSBHJSAQCJO-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61239949
N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine
CID 63926924
N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine
CID 61240540
2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 61474270
N-octan-4-yl-6-propylpyrimidin-4-amine
CID 106026552
N-pent-1-yn-3-yl-6-propylpyrimidin-4-amine
CID 106231185
6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61475220
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66019643
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine (CID 54953837) is N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine is CCCc1cc(NC(C)c2ccc(C)s2)ncn1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine?
The InChIKey is KUBUSBHJSAQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-5-12-8-14(16-9-15-12)17-11(3)13-7-6-10(2)18-13/h6-9,11H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 54953837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).