(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol

C16H17ClN6O — CID 71239843

IUPAC(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol
SMILESCn1cc(Nc2ncc(Cl)c(N[C@H](CO)c3ccccc3)n2)cn1
InChIInChI=1S/C16H17ClN6O/c1-23-9-12(7-19-23)20-16-18-8-13(17)15(22-16)21-14(10-24)11-5-3-2-4-6-11/h2-9,14,24H,10H2,1H3,(H2,18,20,21,22)/t14-/m1/s1
InChIKeyRXQRUYJJCNKFIQ-CQSZACIVSA-N
MW344.81 g/mol
LogP2.75
Rot. Bonds6

About (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol

(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol (PubChem CID 71239843) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol
PubChem CID71239843
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol
SMILESCn1cc(Nc2ncc(Cl)c(N[C@H](CO)c3ccccc3)n2)cn1
InChIInChI=1S/C16H17ClN6O/c1-23-9-12(7-19-23)20-16-18-8-13(17)15(22-16)21-14(10-24)11-5-3-2-4-6-11/h2-9,14,24H,10H2,1H3,(H2,18,20,21,22)/t14-/m1/s1
InChIKeyRXQRUYJJCNKFIQ-CQSZACIVSA-N
XLogP2.75
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol
CID 78044737
2-[4-[[5-chloro-4-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide
CID 71240980
(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-methyl-2-phenylacetamide
CID 71240083
2-[4-[[5-chloro-4-[[(1S)-2-hydroxy-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide
CID 71240973
(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 135104502
2-[4-[[5-chloro-4-[[(1R)-3-hydroxy-1-phenylpropyl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide
CID 71241068
5-chloro-4-N-[1-(3-methoxyphenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 71240937
3-[[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 141357974
5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 71240951
2-[4-[[5-chloro-4-[[2-hydroxy-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 78045693
2-chloro-4-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(2H-triazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 167517704
4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
CID 155203647

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol (CID 71239843) is (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol is Cn1cc(Nc2ncc(Cl)c(N[C@H](CO)c3ccccc3)n2)cn1.
What is the InChIKey of (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol?
The InChIKey is RXQRUYJJCNKFIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-23-9-12(7-19-23)20-16-18-8-13(17)15(22-16)21-14(10-24)11-5-3-2-4-6-11/h2-9,14,24H,10H2,1H3,(H2,18,20,21,22)/t14-/m1/s1.
What are the key properties of (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol?
(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol has a molecular weight of 344.81 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol is sourced from PubChem (CID 71239843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).