(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol

C12H11ClF2N4O — CID 36790047

IUPAC(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol
SMILESNc1nc(Cl)cc(NC[C@H](O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H11ClF2N4O/c13-10-4-11(19-12(16)18-10)17-5-9(20)6-1-2-7(14)8(15)3-6/h1-4,9,20H,5H2,(H3,16,17,18,19)/t9-/m0/s1
InChIKeyHWHOFBNSVMFULG-VIFPVBQESA-N
MW300.70 g/mol
LogP2.14
Rot. Bonds4

About (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol

(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol (PubChem CID 36790047) has the molecular formula C12H11ClF2N4O and a molecular weight of 300.70 g/mol. Its IUPAC name is (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol
PubChem CID36790047
Molecular FormulaC12H11ClF2N4O
Molecular Weight300.70 g/mol
Exact Mass300.06
IUPAC Name(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol
SMILESNc1nc(Cl)cc(NC[C@H](O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H11ClF2N4O/c13-10-4-11(19-12(16)18-10)17-5-9(20)6-1-2-7(14)8(15)3-6/h1-4,9,20H,5H2,(H3,16,17,18,19)/t9-/m0/s1
InChIKeyHWHOFBNSVMFULG-VIFPVBQESA-N
XLogP2.14
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol with MolForge

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Related Compounds

(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 36790111
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol
CID 133411980
(2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol
CID 51984130
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
(2S)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95322125
2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60901009
1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 76641108

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol (CID 36790047) is (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol is Nc1nc(Cl)cc(NC[C@H](O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol?
The InChIKey is HWHOFBNSVMFULG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H11ClF2N4O/c13-10-4-11(19-12(16)18-10)17-5-9(20)6-1-2-7(14)8(15)3-6/h1-4,9,20H,5H2,(H3,16,17,18,19)/t9-/m0/s1.
What are the key properties of (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol?
(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol has a molecular weight of 300.70 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 36790047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).