2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C8H10ClF3N4O — CID 114049904

IUPAC2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1ncnc(N(CCO)CC(F)(F)F)c1Cl
InChIInChI=1S/C8H10ClF3N4O/c9-5-6(13)14-4-15-7(5)16(1-2-17)3-8(10,11)12/h4,17H,1-3H2,(H2,13,14,15)
InChIKeyVOLQLIOXXCVTLN-UHFFFAOYSA-N
MW270.64 g/mol
LogP1.07
Rot. Bonds4

About 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 114049904) has the molecular formula C8H10ClF3N4O and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID114049904
Molecular FormulaC8H10ClF3N4O
Molecular Weight270.64 g/mol
Exact Mass270.05
IUPAC Name2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1ncnc(N(CCO)CC(F)(F)F)c1Cl
InChIInChI=1S/C8H10ClF3N4O/c9-5-6(13)14-4-15-7(5)16(1-2-17)3-8(10,11)12/h4,17H,1-3H2,(H2,13,14,15)
InChIKeyVOLQLIOXXCVTLN-UHFFFAOYSA-N
XLogP1.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

5-chloro-4-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrimidine-4,6-diamine
CID 100648089
[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
CID 128979550
2-[(6-Chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol
CID 155591634
Ethanol, 2,2'-[(5-amino-6-chloro-4-pyrimidinyl)imino]bis-
CID 3947221
2-[(2-Amino-5-fluoropyrimidin-4-yl)-ethylamino]ethanol
CID 80791560
2-[(2-Amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol
CID 80796328
2-[(2-Amino-5-fluoropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80797101
5-chloro-4-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrimidine-4,6-diamine
CID 100648077
3-[(5-Chloropyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 102677454
3-[(5-Chloropyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 102975913
3-[(5-Chloropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 102975978
3-[(6-Chloro-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648255

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 114049904) is 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is Nc1ncnc(N(CCO)CC(F)(F)F)c1Cl.
What is the InChIKey of 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VOLQLIOXXCVTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N4O/c9-5-6(13)14-4-15-7(5)16(1-2-17)3-8(10,11)12/h4,17H,1-3H2,(H2,13,14,15).
What are the key properties of 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 270.64 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 114049904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).