5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine

C20H21FN6O3 — CID 46879671

IUPAC5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
SMILESCOc1ccccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1
InChIInChI=1S/C20H21FN6O3/c1-28-15-4-2-3-5-16(15)30-18-10-17(24-12-25-18)27-8-6-13(7-9-27)29-20-23-11-14(21)19(22)26-20/h2-5,10-13H,6-9H2,1H3,(H2,22,23,26)
InChIKeyDQRDGJUZOOWFEO-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.84
Rot. Bonds6

About 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine

5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine (PubChem CID 46879671) has the molecular formula C20H21FN6O3 and a molecular weight of 412.43 g/mol. Its IUPAC name is 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
PubChem CID46879671
Molecular FormulaC20H21FN6O3
Molecular Weight412.43 g/mol
Exact Mass412.17
IUPAC Name5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
SMILESCOc1ccccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1
InChIInChI=1S/C20H21FN6O3/c1-28-15-4-2-3-5-16(15)30-18-10-17(24-12-25-18)27-8-6-13(7-9-27)29-20-23-11-14(21)19(22)26-20/h2-5,10-13H,6-9H2,1H3,(H2,22,23,26)
InChIKeyDQRDGJUZOOWFEO-UHFFFAOYSA-N
XLogP2.84
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)-4-methoxybenzonitrile
CID 45375948
2-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
CID 46879856
2-(6-(4-(4-Aminopyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
CID 46879893
5-Fluoro-2-(1-(5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 25026285
2-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)pyrimidin-4-yloxy)benzonitrile
CID 46879753
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-pyrimidin-2-ylethane-1,2-diamine
CID 10731942
(2-Methyl-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine
CID 10736855
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(1-pyrimidin-2-ylpiperidin-4-yl)methanamine
CID 10783359
(3-Methyl-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine
CID 10784327
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(1-pyrimidin-2-ylpiperidin-4-yl)methanamine
CID 10807090
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine
CID 11792453
2-(1-(6-(2-Ethylphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026090

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine (CID 46879671) is 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine is COc1ccccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1.
What is the InChIKey of 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The InChIKey is DQRDGJUZOOWFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3/c1-28-15-4-2-3-5-16(15)30-18-10-17(24-12-25-18)27-8-6-13(7-9-27)29-20-23-11-14(21)19(22)26-20/h2-5,10-13H,6-9H2,1H3,(H2,22,23,26).
What are the key properties of 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine has a molecular weight of 412.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[6-(2-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 46879671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).