(1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol

C15H19ClN4O — CID 95126336

IUPAC(1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NC[C@H](O)c2ccccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C15H19ClN4O/c1-10-8-14(19-15(18-10)20(2)3)17-9-13(21)11-6-4-5-7-12(11)16/h4-8,13,21H,9H2,1-3H3,(H,17,18,19)/t13-/m0/s1
InChIKeyNCUKNHRTWTWEND-ZDUSSCGKSA-N
MW306.80 g/mol
LogP2.65
Rot. Bonds5

About (1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol

(1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 95126336) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
PubChem CID95126336
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NC[C@H](O)c2ccccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C15H19ClN4O/c1-10-8-14(19-15(18-10)20(2)3)17-9-13(21)11-6-4-5-7-12(11)16/h4-8,13,21H,9H2,1-3H3,(H,17,18,19)/t13-/m0/s1
InChIKeyNCUKNHRTWTWEND-ZDUSSCGKSA-N
XLogP2.65
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol
CID 51943081
2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol
CID 63490045
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
1-(2-chlorophenyl)-2-(4-methoxyanilino)ethanol
CID 60900920
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
4-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
CID 95147488
1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398104
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717
1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
CID 48931327

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of (1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol (CID 95126336) is (1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol is Cc1cc(NC[C@H](O)c2ccccc2Cl)nc(N(C)C)n1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is NCUKNHRTWTWEND-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-8-14(19-15(18-10)20(2)3)17-9-13(21)11-6-4-5-7-12(11)16/h4-8,13,21H,9H2,1-3H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol?
(1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 306.80 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 95126336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).