5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine

C16H15F2N3OS — CID 118311805

IUPAC5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine
SMILESFC1=C(NCc2ccccc2F)NC(OCc2cccs2)N=C1
InChIInChI=1S/C16H15F2N3OS/c17-13-6-2-1-4-11(13)8-19-15-14(18)9-20-16(21-15)22-10-12-5-3-7-23-12/h1-7,9,16,19,21H,8,10H2
InChIKeyMLNGHWWDLMQTKD-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.29
Rot. Bonds6

About 5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine

5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine (PubChem CID 118311805) has the molecular formula C16H15F2N3OS and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine
PubChem CID118311805
Molecular FormulaC16H15F2N3OS
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine
SMILESFC1=C(NCc2ccccc2F)NC(OCc2cccs2)N=C1
InChIInChI=1S/C16H15F2N3OS/c17-13-6-2-1-4-11(13)8-19-15-14(18)9-20-16(21-15)22-10-12-5-3-7-23-12/h1-7,9,16,19,21H,8,10H2
InChIKeyMLNGHWWDLMQTKD-UHFFFAOYSA-N
XLogP3.29
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-difluorophenyl)methoxy]-5-fluoro-N-(thiophen-2-ylmethyl)-1,4-dihydropyrimidin-6-amine
CID 57818415
(Z)-2-fluoro-1-N'-[(2-fluorophenyl)methyl]-1-N-methyl-3-(thiophen-2-ylmethoxymethylimino)prop-1-ene-1,1-diamine
CID 70990505
2-[(3,4-difluorophenyl)methoxy]-5-fluoro-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyrimidin-6-imine
CID 136624431

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine?
The IUPAC name of 5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine (CID 118311805) is 5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine.
What is the SMILES notation for 5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine?
The canonical SMILES for 5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine is FC1=C(NCc2ccccc2F)NC(OCc2cccs2)N=C1.
What is the InChIKey of 5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine?
The InChIKey is MLNGHWWDLMQTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3OS/c17-13-6-2-1-4-11(13)8-19-15-14(18)9-20-16(21-15)22-10-12-5-3-7-23-12/h1-7,9,16,19,21H,8,10H2.
What are the key properties of 5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine?
5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine has a molecular weight of 335.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2-fluorophenyl)methyl]-2-(thiophen-2-ylmethoxy)-1,2-dihydropyrimidin-6-amine is sourced from PubChem (CID 118311805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).