N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine

C16H18FN3O2 — CID 82457717

IUPACN-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NCc2ccc(F)cc2)nc(C2CCCO2)n1
InChIInChI=1S/C16H18FN3O2/c1-21-15-9-14(18-10-11-4-6-12(17)7-5-11)19-16(20-15)13-3-2-8-22-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,18,19,20)
InChIKeyXYTJLHQUBSRWAM-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.09
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine

N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine (PubChem CID 82457717) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
PubChem CID82457717
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NCc2ccc(F)cc2)nc(C2CCCO2)n1
InChIInChI=1S/C16H18FN3O2/c1-21-15-9-14(18-10-11-4-6-12(17)7-5-11)19-16(20-15)13-3-2-8-22-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,18,19,20)
InChIKeyXYTJLHQUBSRWAM-UHFFFAOYSA-N
XLogP3.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine
CID 82453845
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458000
4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912596
N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457723
N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457767
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
CID 82457782
2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456386
6-tert-butyl-N-ethyl-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65328095

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine (CID 82457717) is N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine is COc1cc(NCc2ccc(F)cc2)nc(C2CCCO2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The InChIKey is XYTJLHQUBSRWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-21-15-9-14(18-10-11-4-6-12(17)7-5-11)19-16(20-15)13-3-2-8-22-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,18,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine has a molecular weight of 303.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 82457717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).