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

C9H13F3N4O2 — CID 114157114

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O2/c1-18-4-5(3-17)14-7-2-6(13)15-8(16-7)9(10,11)12/h2,5,17H,3-4H2,1H3,(H3,13,14,15,16)
InChIKeyAUUMDCLETBUTPI-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.50
Rot. Bonds5

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

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol (PubChem CID 114157114) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
PubChem CID114157114
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O2/c1-18-4-5(3-17)14-7-2-6(13)15-8(16-7)9(10,11)12/h2,5,17H,3-4H2,1H3,(H3,13,14,15,16)
InChIKeyAUUMDCLETBUTPI-UHFFFAOYSA-N
XLogP0.50
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
CID 106772304
2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198708
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-phenylethanol
CID 106771905
4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773341
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
2-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 106771755
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184001
1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 106773118
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
CID 106773392
4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771303

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol (CID 114157114) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol is COCC(CO)Nc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
The InChIKey is AUUMDCLETBUTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-18-4-5(3-17)14-7-2-6(13)15-8(16-7)9(10,11)12/h2,5,17H,3-4H2,1H3,(H3,13,14,15,16).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol has a molecular weight of 266.22 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 114157114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).