N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine

C14H14F3N3OS — CID 6937978

IUPACN-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)12-7-10(11-4-2-6-22-11)19-13(20-12)18-8-9-3-1-5-21-9/h2,4,6-7,9H,1,3,5,8H2,(H,18,19,20)/t9-/m0/s1
InChIKeyRLROGYDKUGFHHB-VIFPVBQESA-N
MW329.35 g/mol
LogP3.81
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine

N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 6937978) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID6937978
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)12-7-10(11-4-2-6-22-11)19-13(20-12)18-8-9-3-1-5-21-9/h2,4,6-7,9H,1,3,5,8H2,(H,18,19,20)/t9-/m0/s1
InChIKeyRLROGYDKUGFHHB-VIFPVBQESA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 51855014
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1,3,5-triazine-2,4-diamine
CID 23787222
3-chloro-N-(oxolan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2860394
N-(oxolan-2-ylmethyl)thiophen-2-amine
CID 3436457
[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 71670383
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
4,6,8-trimethyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine
CID 17035782
4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine
CID 17035779
1-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29090240
N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 71830129
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 6937978) is N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2cccs2)nc(NC[C@@H]2CCCO2)n1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RLROGYDKUGFHHB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14F3N3OS/c15-14(16,17)12-7-10(11-4-2-6-22-11)19-13(20-12)18-8-9-3-1-5-21-9/h2,4,6-7,9H,1,3,5,8H2,(H,18,19,20)/t9-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 329.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 6937978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).