2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

C14H18FN3S — CID 66000619

IUPAC2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)sc2C)nc(C)c1F
InChIInChI=1S/C14H18FN3S/c1-5-6-16-14-12(15)9(3)17-13(18-14)11-7-8(2)19-10(11)4/h7H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyJGMAAEODTVZZQX-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.09
Rot. Bonds4

About 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66000619) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66000619
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)sc2C)nc(C)c1F
InChIInChI=1S/C14H18FN3S/c1-5-6-16-14-12(15)9(3)17-13(18-14)11-7-8(2)19-10(11)4/h7H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyJGMAAEODTVZZQX-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297751
2-(2,5-dimethylthiophen-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202584
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 55045831
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 106819704
6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 63354644
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66296123
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 102843919
2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297690
2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000005
2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 114488677
2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66297540

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (CID 66000619) is 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(C)sc2C)nc(C)c1F.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is JGMAAEODTVZZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-5-6-16-14-12(15)9(3)17-13(18-14)11-7-8(2)19-10(11)4/h7H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 279.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66000619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).