(1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol

C18H21N5O — CID 51474512

IUPAC(1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol
SMILESCc1cc(Nc2cccc([C@@H](C)O)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H21N5O/c1-11-9-17(20-16-7-5-6-15(10-16)14(4)24)21-18(19-11)23-13(3)8-12(2)22-23/h5-10,14,24H,1-4H3,(H,19,20,21)/t14-/m1/s1
InChIKeyHZTKRXPHSYIMFE-CQSZACIVSA-N
MW323.40 g/mol
LogP3.38
Rot. Bonds4

About (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol

(1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol (PubChem CID 51474512) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol
PubChem CID51474512
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol
SMILESCc1cc(Nc2cccc([C@@H](C)O)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H21N5O/c1-11-9-17(20-16-7-5-6-15(10-16)14(4)24)21-18(19-11)23-13(3)8-12(2)22-23/h5-10,14,24H,1-4H3,(H,19,20,21)/t14-/m1/s1
InChIKeyHZTKRXPHSYIMFE-CQSZACIVSA-N
XLogP3.38
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol with MolForge

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-6-methyl-N-(3-nitrophenyl)pyrimidin-4-amine
CID 8668786
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 16640536
N-(2,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 7424266
N-(4-chloro-2-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 166626048
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-(3-methylphenyl)pyrazol-3-amine
CID 71489000
1-[4-[4-methyl-6-(3-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915025
N-[3-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931499
6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 655127
4-[[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 3750524
2-(3,5-dimethylpyrazol-1-yl)-6-methyl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
CID 1420710
N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910303
2-(azepan-1-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112926743

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol (CID 51474512) is (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol is Cc1cc(Nc2cccc([C@@H](C)O)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol?
The InChIKey is HZTKRXPHSYIMFE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-9-17(20-16-7-5-6-15(10-16)14(4)24)21-18(19-11)23-13(3)8-12(2)22-23/h5-10,14,24H,1-4H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol?
(1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol has a molecular weight of 323.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanol is sourced from PubChem (CID 51474512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).