(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol

C15H18ClN3O2 — CID 125130843

IUPAC(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc([C@H](O)CNc2ncc(Cl)cn2)cc1
InChIInChI=1S/C15H18ClN3O2/c1-10(2)21-13-5-3-11(4-6-13)14(20)9-19-15-17-7-12(16)8-18-15/h3-8,10,14,20H,9H2,1-2H3,(H,17,18,19)/t14-/m1/s1
InChIKeyAZFZGGZRRQXNHA-CQSZACIVSA-N
MW307.78 g/mol
LogP3.06
Rot. Bonds6

About (1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol

(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 125130843) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is (1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID125130843
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc([C@H](O)CNc2ncc(Cl)cn2)cc1
InChIInChI=1S/C15H18ClN3O2/c1-10(2)21-13-5-3-11(4-6-13)14(20)9-19-15-17-7-12(16)8-18-15/h3-8,10,14,20H,9H2,1-2H3,(H,17,18,19)/t14-/m1/s1
InChIKeyAZFZGGZRRQXNHA-CQSZACIVSA-N
XLogP3.06
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 122145460
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine
CID 133403569
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
(2S)-1-[(5-chloropyrimidin-2-yl)amino]butan-2-ol
CID 130680092
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
CID 112696400
6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid
CID 122053851
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422192
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of (1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol (CID 125130843) is (1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for (1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc([C@H](O)CNc2ncc(Cl)cn2)cc1.
What is the InChIKey of (1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is AZFZGGZRRQXNHA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10(2)21-13-5-3-11(4-6-13)14(20)9-19-15-17-7-12(16)8-18-15/h3-8,10,14,20H,9H2,1-2H3,(H,17,18,19)/t14-/m1/s1.
What are the key properties of (1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol?
(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 307.78 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 125130843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).