[2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol

C18H16FN3O2 — CID 167921954

IUPAC[2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(NCc2ccccc2Oc2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O2/c19-14-5-7-16(8-6-14)24-17-4-2-1-3-13(17)11-21-18-20-10-9-15(12-23)22-18/h1-10,23H,11-12H2,(H,20,21,22)
InChIKeyZXMVVQISLFUHHV-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.51
Rot. Bonds6

About [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol

[2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol (PubChem CID 167921954) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol
PubChem CID167921954
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name[2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(NCc2ccccc2Oc2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O2/c19-14-5-7-16(8-6-14)24-17-4-2-1-3-13(17)11-21-18-20-10-9-15(12-23)22-18/h1-10,23H,11-12H2,(H,20,21,22)
InChIKeyZXMVVQISLFUHHV-UHFFFAOYSA-N
XLogP3.51
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol with MolForge

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Related Compounds

4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 56553691
1-[[2-(4-fluorophenoxy)phenyl]methyl]-2-phenylhydrazine
CID 169385090
2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891339
4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 56574207
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63069839
2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol
CID 170892625
4-N-[(2-methoxyphenyl)methyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112892223
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891495
[4-(2-fluorophenoxy)-2-pyridinyl]methanol
CID 61257944
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892289
2-N-[(2-methoxyphenyl)methyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892258

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol (CID 167921954) is [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol is OCc1ccnc(NCc2ccccc2Oc2ccc(F)cc2)n1.
What is the InChIKey of [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol?
The InChIKey is ZXMVVQISLFUHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-5-7-16(8-6-14)24-17-4-2-1-3-13(17)11-21-18-20-10-9-15(12-23)22-18/h1-10,23H,11-12H2,(H,20,21,22).
What are the key properties of [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol?
[2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol has a molecular weight of 325.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-4-yl]methanol is sourced from PubChem (CID 167921954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).