[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol

C16H19ClN2O2 — CID 62087795

IUPAC[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCCc1cc(Oc2cnc(C(C)C)nc2CO)ccc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-4-11-7-12(5-6-13(11)17)21-15-8-18-16(10(2)3)19-14(15)9-20/h5-8,10,20H,4,9H2,1-3H3
InChIKeySWMDUOGTTUCMMK-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.10
Rot. Bonds5

About [5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol

[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62087795) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is [5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62087795
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCCc1cc(Oc2cnc(C(C)C)nc2CO)ccc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-4-11-7-12(5-6-13(11)17)21-15-8-18-16(10(2)3)19-14(15)9-20/h5-8,10,20H,4,9H2,1-3H3
InChIKeySWMDUOGTTUCMMK-UHFFFAOYSA-N
XLogP4.10
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62089045
[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
[5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087969
[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
CID 62088149
[5-(4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086538
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 55032605
1-[5-(4-chloro-3-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 82718693
[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol
CID 116802655
4-(chloromethyl)-5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 62088348
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
1-[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297314
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63648556

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62087795) is [5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is CCc1cc(Oc2cnc(C(C)C)nc2CO)ccc1Cl.
What is the InChIKey of [5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is SWMDUOGTTUCMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-11-7-12(5-6-13(11)17)21-15-8-18-16(10(2)3)19-14(15)9-20/h5-8,10,20H,4,9H2,1-3H3.
What are the key properties of [5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 306.79 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62087795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).