4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

C17H21F2N7 — CID 172891083

IUPAC4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESFC1(F)CCN(c2cc(N3CCN(c4ncccn4)CC3)ncn2)CC1
InChIInChI=1S/C17H21F2N7/c18-17(19)2-6-24(7-3-17)14-12-15(23-13-22-14)25-8-10-26(11-9-25)16-20-4-1-5-21-16/h1,4-5,12-13H,2-3,6-11H2
InChIKeyVIQKCGLUFWZMAJ-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.83
Rot. Bonds3

About 4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 172891083) has the molecular formula C17H21F2N7 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID172891083
Molecular FormulaC17H21F2N7
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESFC1(F)CCN(c2cc(N3CCN(c4ncccn4)CC3)ncn2)CC1
InChIInChI=1S/C17H21F2N7/c18-17(19)2-6-24(7-3-17)14-12-15(23-13-22-14)25-8-10-26(11-9-25)16-20-4-1-5-21-16/h1,4-5,12-13H,2-3,6-11H2
InChIKeyVIQKCGLUFWZMAJ-UHFFFAOYSA-N
XLogP1.83
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858250
butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 171070118
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
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863365
8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112862654
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
3-[[4-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 172881791

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (CID 172891083) is 4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is FC1(F)CCN(c2cc(N3CCN(c4ncccn4)CC3)ncn2)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is VIQKCGLUFWZMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N7/c18-17(19)2-6-24(7-3-17)14-12-15(23-13-22-14)25-8-10-26(11-9-25)16-20-4-1-5-21-16/h1,4-5,12-13H,2-3,6-11H2.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 361.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 172891083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).