[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol

C14H16ClN3O2 — CID 80873058

IUPAC[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCCCNc1ncc(Cl)c(Oc2cccc(CO)c2)n1
InChIInChI=1S/C14H16ClN3O2/c1-2-6-16-14-17-8-12(15)13(18-14)20-11-5-3-4-10(7-11)9-19/h3-5,7-8,19H,2,6,9H2,1H3,(H,16,17,18)
InChIKeyOJTCVFVRRIDMLC-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.24
Rot. Bonds6

About [3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol

[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80873058) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is [3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80873058
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCCCNc1ncc(Cl)c(Oc2cccc(CO)c2)n1
InChIInChI=1S/C14H16ClN3O2/c1-2-6-16-14-17-8-12(15)13(18-14)20-11-5-3-4-10(7-11)9-19/h3-5,7-8,19H,2,6,9H2,1H3,(H,16,17,18)
InChIKeyOJTCVFVRRIDMLC-UHFFFAOYSA-N
XLogP3.24
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
CID 80880225
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine
CID 80860694
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562

Frequently Asked Questions

What is the IUPAC name of [3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol (CID 80873058) is [3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol is CCCNc1ncc(Cl)c(Oc2cccc(CO)c2)n1.
What is the InChIKey of [3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is OJTCVFVRRIDMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-6-16-14-17-8-12(15)13(18-14)20-11-5-3-4-10(7-11)9-19/h3-5,7-8,19H,2,6,9H2,1H3,(H,16,17,18).
What are the key properties of [3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 293.75 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80873058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).