N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine

C20H25FN4O — CID 45248880

IUPACN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESFc1ccc(C2(CNc3cc(C4CCNCC4)ncn3)CCOC2)cc1
InChIInChI=1S/C20H25FN4O/c21-17-3-1-16(2-4-17)20(7-10-26-13-20)12-23-19-11-18(24-14-25-19)15-5-8-22-9-6-15/h1-4,11,14-15,22H,5-10,12-13H2,(H,23,24,25)
InChIKeySAFLZHHCDGFEMA-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.85
Rot. Bonds5

About N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine

N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 45248880) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID45248880
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESFc1ccc(C2(CNc3cc(C4CCNCC4)ncn3)CCOC2)cc1
InChIInChI=1S/C20H25FN4O/c21-17-3-1-16(2-4-17)20(7-10-26-13-20)12-23-19-11-18(24-14-25-19)15-5-8-22-9-6-15/h1-4,11,14-15,22H,5-10,12-13H2,(H,23,24,25)
InChIKeySAFLZHHCDGFEMA-UHFFFAOYSA-N
XLogP2.85
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine (CID 45248880) is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine is Fc1ccc(C2(CNc3cc(C4CCNCC4)ncn3)CCOC2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is SAFLZHHCDGFEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-17-3-1-16(2-4-17)20(7-10-26-13-20)12-23-19-11-18(24-14-25-19)15-5-8-22-9-6-15/h1-4,11,14-15,22H,5-10,12-13H2,(H,23,24,25).
What are the key properties of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 356.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 45248880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).