2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C16H20FN3O — CID 62318776

IUPAC2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3O/c1-3-8-18-15-10-14(11-21-2)19-16(20-15)9-12-4-6-13(17)7-5-12/h4-7,10H,3,8-9,11H2,1-2H3,(H,18,19,20)
InChIKeyDRRNRNJLCALCKF-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.17
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 62318776) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID62318776
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3O/c1-3-8-18-15-10-14(11-21-2)19-16(20-15)9-12-4-6-13(17)7-5-12/h4-7,10H,3,8-9,11H2,1-2H3,(H,18,19,20)
InChIKeyDRRNRNJLCALCKF-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 62318776) is 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(COC)nc(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is DRRNRNJLCALCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-8-18-15-10-14(11-21-2)19-16(20-15)9-12-4-6-13(17)7-5-12/h4-7,10H,3,8-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62318776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).