(2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol

C11H17F3N4O2 — CID 95771269

IUPAC(2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CNc1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O2/c1-18(2)9-4-8(11(12,13)14)16-10(17-9)15-5-7(19)6-20-3/h4,7,19H,5-6H2,1-3H3,(H,15,16,17)/t7-/m0/s1
InChIKeyBKQGHBAKUSZKPV-ZETCQYMHSA-N
MW294.28 g/mol
LogP0.98
Rot. Bonds6

About (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol

(2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol (PubChem CID 95771269) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
PubChem CID95771269
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name(2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CNc1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O2/c1-18(2)9-4-8(11(12,13)14)16-10(17-9)15-5-7(19)6-20-3/h4,7,19H,5-6H2,1-3H3,(H,15,16,17)/t7-/m0/s1
InChIKeyBKQGHBAKUSZKPV-ZETCQYMHSA-N
XLogP0.98
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 95771270
4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133289533
2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133460079
3-[2-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethylsulfanyl]propan-1-ol
CID 111104935
1-[methyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564867
2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol
CID 133376075
4-N,4-N-dimethyl-2-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133314334
4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133378151
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methoxypropan-2-ol
CID 102720773
4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide
CID 78870763
2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114565799
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol (CID 95771269) is (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol is COC[C@@H](O)CNc1nc(N(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol?
The InChIKey is BKQGHBAKUSZKPV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-18(2)9-4-8(11(12,13)14)16-10(17-9)15-5-7(19)6-20-3/h4,7,19H,5-6H2,1-3H3,(H,15,16,17)/t7-/m0/s1.
What are the key properties of (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol?
(2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol has a molecular weight of 294.28 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 95771269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).