(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol

C12H12ClFN4O — CID 36790111

IUPAC(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
SMILESNc1nc(Cl)cc(NC[C@H](O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12ClFN4O/c13-10-5-11(18-12(15)17-10)16-6-9(19)7-1-3-8(14)4-2-7/h1-5,9,19H,6H2,(H3,15,16,17,18)/t9-/m0/s1
InChIKeyPYTBRDPOPLRYEL-VIFPVBQESA-N
MW282.71 g/mol
LogP2.00
Rot. Bonds4

About (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol

(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol (PubChem CID 36790111) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
PubChem CID36790111
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
SMILESNc1nc(Cl)cc(NC[C@H](O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12ClFN4O/c13-10-5-11(18-12(15)17-10)16-6-9(19)7-1-3-8(14)4-2-7/h1-5,9,19H,6H2,(H3,15,16,17,18)/t9-/m0/s1
InChIKeyPYTBRDPOPLRYEL-VIFPVBQESA-N
XLogP2.00
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-(3,4-difluorophenyl)ethanol
CID 36790047
2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 76641108
(2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol
CID 51984130
(2S)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95322125
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80545491
2-[[2-amino-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-5-nitropyrimidin-4-yl]amino]-1-(4-fluorophenyl)ethanol
CID 119039875
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol (CID 36790111) is (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol is Nc1nc(Cl)cc(NC[C@H](O)c2ccc(F)cc2)n1.
What is the InChIKey of (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is PYTBRDPOPLRYEL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12ClFN4O/c13-10-5-11(18-12(15)17-10)16-6-9(19)7-1-3-8(14)4-2-7/h1-5,9,19H,6H2,(H3,15,16,17,18)/t9-/m0/s1.
What are the key properties of (1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol?
(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 282.71 g/mol, XLogP of 2.00, 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-(4-fluorophenyl)ethanol is sourced from PubChem (CID 36790111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).