[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol

C16H19N3O2 — CID 80966723

IUPAC[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCCNc1cc(Oc2cccc(CO)c2)nc(C2CC2)n1
InChIInChI=1S/C16H19N3O2/c1-2-17-14-9-15(19-16(18-14)12-6-7-12)21-13-5-3-4-11(8-13)10-20/h3-5,8-9,12,20H,2,6-7,10H2,1H3,(H,17,18,19)
InChIKeyNDIDLBAWJQSTOV-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.07
Rot. Bonds6

About [3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol

[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80966723) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80966723
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCCNc1cc(Oc2cccc(CO)c2)nc(C2CC2)n1
InChIInChI=1S/C16H19N3O2/c1-2-17-14-9-15(19-16(18-14)12-6-7-12)21-13-5-3-4-11(8-13)10-20/h3-5,8-9,12,20H,2,6-7,10H2,1H3,(H,17,18,19)
InChIKeyNDIDLBAWJQSTOV-UHFFFAOYSA-N
XLogP3.07
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
CID 80942920
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80965780
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214
[3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 81000736
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80969262
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine
CID 80966422

Frequently Asked Questions

What is the IUPAC name of [3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol (CID 80966723) is [3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol is CCNc1cc(Oc2cccc(CO)c2)nc(C2CC2)n1.
What is the InChIKey of [3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is NDIDLBAWJQSTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-17-14-9-15(19-16(18-14)12-6-7-12)21-13-5-3-4-11(8-13)10-20/h3-5,8-9,12,20H,2,6-7,10H2,1H3,(H,17,18,19).
What are the key properties of [3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol?
[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 285.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80966723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).