6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine

C16H19FN4O — CID 45207201

IUPAC6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine
SMILESNCc1cc(NCC2(c3ccc(F)cc3)CCOC2)ncn1
InChIInChI=1S/C16H19FN4O/c17-13-3-1-12(2-4-13)16(5-6-22-10-16)9-19-15-7-14(8-18)20-11-21-15/h1-4,7,11H,5-6,8-10,18H2,(H,19,20,21)
InChIKeyRDAMKGLNZMLXIB-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.84
Rot. Bonds5

About 6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine

6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine (PubChem CID 45207201) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine
PubChem CID45207201
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine
SMILESNCc1cc(NCC2(c3ccc(F)cc3)CCOC2)ncn1
InChIInChI=1S/C16H19FN4O/c17-13-3-1-12(2-4-13)16(5-6-22-10-16)9-19-15-7-14(8-18)20-11-21-15/h1-4,7,11H,5-6,8-10,18H2,(H,19,20,21)
InChIKeyRDAMKGLNZMLXIB-UHFFFAOYSA-N
XLogP1.84
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine (CID 45207201) is 6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine is NCc1cc(NCC2(c3ccc(F)cc3)CCOC2)ncn1.
What is the InChIKey of 6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is RDAMKGLNZMLXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-13-3-1-12(2-4-13)16(5-6-22-10-16)9-19-15-7-14(8-18)20-11-21-15/h1-4,7,11H,5-6,8-10,18H2,(H,19,20,21).
What are the key properties of 6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine?
6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 302.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 45207201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).