[1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine

C19H25FN4 — CID 56768291

IUPAC[1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCC(C)c1cc(N2CCC(CN)CC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H25FN4/c1-13(2)17-11-18(24-9-7-14(12-21)8-10-24)23-19(22-17)15-3-5-16(20)6-4-15/h3-6,11,13-14H,7-10,12,21H2,1-2H3
InChIKeyHGVCPPOTOOZWGU-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.58
Rot. Bonds4

About [1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine

[1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine (PubChem CID 56768291) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is [1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine
PubChem CID56768291
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name[1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCC(C)c1cc(N2CCC(CN)CC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H25FN4/c1-13(2)17-11-18(24-9-7-14(12-21)8-10-24)23-19(22-17)15-3-5-16(20)6-4-15/h3-6,11,13-14H,7-10,12,21H2,1-2H3
InChIKeyHGVCPPOTOOZWGU-UHFFFAOYSA-N
XLogP3.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine (CID 56768291) is [1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine is CC(C)c1cc(N2CCC(CN)CC2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of [1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The InChIKey is HGVCPPOTOOZWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-13(2)17-11-18(24-9-7-14(12-21)8-10-24)23-19(22-17)15-3-5-16(20)6-4-15/h3-6,11,13-14H,7-10,12,21H2,1-2H3.
What are the key properties of [1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine?
[1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine has a molecular weight of 328.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 56768291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).