1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine

C20H26F2N6 — CID 175650004

IUPAC1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine
SMILESCc1ccncc1CN(C)C1CN(c2cc(N3CCC(F)(F)CC3)ncn2)C1
InChIInChI=1S/C20H26F2N6/c1-15-3-6-23-10-16(15)11-26(2)17-12-28(13-17)19-9-18(24-14-25-19)27-7-4-20(21,22)5-8-27/h3,6,9-10,14,17H,4-5,7-8,11-13H2,1-2H3
InChIKeyTUJFKHNDKUMNAR-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.74
Rot. Bonds5

About 1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine

1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine (PubChem CID 175650004) has the molecular formula C20H26F2N6 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine
PubChem CID175650004
Molecular FormulaC20H26F2N6
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine
SMILESCc1ccncc1CN(C)C1CN(c2cc(N3CCC(F)(F)CC3)ncn2)C1
InChIInChI=1S/C20H26F2N6/c1-15-3-6-23-10-16(15)11-26(2)17-12-28(13-17)19-9-18(24-14-25-19)27-7-4-20(21,22)5-8-27/h3,6,9-10,14,17H,4-5,7-8,11-13H2,1-2H3
InChIKeyTUJFKHNDKUMNAR-UHFFFAOYSA-N
XLogP2.74
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
CID 172892544
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
CID 172892183
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
CID 172892030
N-[(6-methoxy-4-methyl-3-pyridinyl)methyl]-N-methyl-1-pyridin-4-ylpyrrolidin-3-amine
CID 167815603
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881588
4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 172891083
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881564
N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 172881962
N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine
CID 163343998
7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451210
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
2-[4-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 172882295

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine (CID 175650004) is 1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine is Cc1ccncc1CN(C)C1CN(c2cc(N3CCC(F)(F)CC3)ncn2)C1.
What is the InChIKey of 1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine?
The InChIKey is TUJFKHNDKUMNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N6/c1-15-3-6-23-10-16(15)11-26(2)17-12-28(13-17)19-9-18(24-14-25-19)27-7-4-20(21,22)5-8-27/h3,6,9-10,14,17H,4-5,7-8,11-13H2,1-2H3.
What are the key properties of 1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine?
1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine has a molecular weight of 388.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine is sourced from PubChem (CID 175650004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).