4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine

C16H24F2N4 — CID 110257572

IUPAC4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine
SMILESFC1(F)CCN(c2cc(CCC3CCCCN3)ncn2)CC1
InChIInChI=1S/C16H24F2N4/c17-16(18)6-9-22(10-7-16)15-11-14(20-12-21-15)5-4-13-3-1-2-8-19-13/h11-13,19H,1-10H2
InChIKeyHNYXDXIDDMZTMK-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.79
Rot. Bonds4

About 4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine

4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine (PubChem CID 110257572) has the molecular formula C16H24F2N4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine
PubChem CID110257572
Molecular FormulaC16H24F2N4
Molecular Weight310.39 g/mol
Exact Mass310.20
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine
SMILESFC1(F)CCN(c2cc(CCC3CCCCN3)ncn2)CC1
InChIInChI=1S/C16H24F2N4/c17-16(18)6-9-22(10-7-16)15-11-14(20-12-21-15)5-4-13-3-1-2-8-19-13/h11-13,19H,1-10H2
InChIKeyHNYXDXIDDMZTMK-UHFFFAOYSA-N
XLogP2.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]azepane
CID 110271314
1-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]azepane
CID 95846346
1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 95825247
4-methyl-6-(2-pyrrolidin-2-ylethyl)pyrimidine
CID 83858553
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881564
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881588
3-[[4-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 172881791
3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride
CID 142765514
(2R)-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119897858
2-[6-(4,4-diphenylpiperidin-1-yl)pyrimidin-4-yl]ethanamine
CID 56717917
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 115355534
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine (CID 110257572) is 4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine is FC1(F)CCN(c2cc(CCC3CCCCN3)ncn2)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine?
The InChIKey is HNYXDXIDDMZTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4/c17-16(18)6-9-22(10-7-16)15-11-14(20-12-21-15)5-4-13-3-1-2-8-19-13/h11-13,19H,1-10H2.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine?
4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine has a molecular weight of 310.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine is sourced from PubChem (CID 110257572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).