2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine

C20H19F3N6O — CID 25026089

IUPAC2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(Cc4cc(F)cc(F)c4)ncn3)CC2)ncc1F
InChIInChI=1S/C20H19F3N6O/c21-13-5-12(6-14(22)8-13)7-15-9-18(27-11-26-15)29-3-1-16(2-4-29)30-20-25-10-17(23)19(24)28-20/h5-6,8-11,16H,1-4,7H2,(H2,24,25,28)
InChIKeyLXGBESLKQTZVJK-UHFFFAOYSA-N
MW416.41 g/mol
LogP2.90
Rot. Bonds5

About 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine

2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine (PubChem CID 25026089) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine
PubChem CID25026089
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(Cc4cc(F)cc(F)c4)ncn3)CC2)ncc1F
InChIInChI=1S/C20H19F3N6O/c21-13-5-12(6-14(22)8-13)7-15-9-18(27-11-26-15)29-3-1-16(2-4-29)30-20-25-10-17(23)19(24)28-20/h5-6,8-11,16H,1-4,7H2,(H2,24,25,28)
InChIKeyLXGBESLKQTZVJK-UHFFFAOYSA-N
XLogP2.90
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine with MolForge

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Related Compounds

6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 59744061
5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
CID 59744054
5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
CID 46879755
2-[6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidin-4-yl]oxybenzonitrile
CID 46879753
2-[6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidin-4-yl]oxy-5-methoxybenzonitrile
CID 45375949
2-[2-[1-[6-(1-benzothiophen-2-yl)pyrimidin-4-yl]piperidin-4-yl]ethoxy]-5-fluoropyrimidin-4-amine
CID 46879632
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 139028684
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine
CID 139028665
4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
CID 70712024
4-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 115416496
4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
CID 139022951
5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine
CID 139028966

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine (CID 25026089) is 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine is Nc1nc(OC2CCN(c3cc(Cc4cc(F)cc(F)c4)ncn3)CC2)ncc1F.
What is the InChIKey of 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine?
The InChIKey is LXGBESLKQTZVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c21-13-5-12(6-14(22)8-13)7-15-9-18(27-11-26-15)29-3-1-16(2-4-29)30-20-25-10-17(23)19(24)28-20/h5-6,8-11,16H,1-4,7H2,(H2,24,25,28).
What are the key properties of 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine?
2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine has a molecular weight of 416.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 25026089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).