2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol

C16H21N3O2 — CID 133304652

IUPAC2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCc1ccnc(NCC(O)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C16H21N3O2/c1-11(2)21-14-6-4-5-13(9-14)15(20)10-18-16-17-8-7-12(3)19-16/h4-9,11,15,20H,10H2,1-3H3,(H,17,18,19)
InChIKeyWMHRIXSGIXGEFX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.72
Rot. Bonds6

About 2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol

2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol (PubChem CID 133304652) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol
PubChem CID133304652
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCc1ccnc(NCC(O)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C16H21N3O2/c1-11(2)21-14-6-4-5-13(9-14)15(20)10-18-16-17-8-7-12(3)19-16/h4-9,11,15,20H,10H2,1-3H3,(H,17,18,19)
InChIKeyWMHRIXSGIXGEFX-UHFFFAOYSA-N
XLogP2.72
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylpyrimidin-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide
CID 99842142
2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375715
1-(4-chloro-3-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]ethanol
CID 133411967
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 111755622
1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111423579
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 97068294
3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62960699
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 111423746
3-[(1S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 7435960
2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol
CID 71125354

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol (CID 133304652) is 2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol is Cc1ccnc(NCC(O)c2cccc(OC(C)C)c2)n1.
What is the InChIKey of 2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol?
The InChIKey is WMHRIXSGIXGEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)21-14-6-4-5-13(9-14)15(20)10-18-16-17-8-7-12(3)19-16/h4-9,11,15,20H,10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol?
2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol has a molecular weight of 287.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 133304652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).