5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine

C14H16FN5O2 — CID 135111998

IUPAC5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
SMILESCOc1nc(N2CCC(Oc3ncccn3)CC2)ncc1F
InChIInChI=1S/C14H16FN5O2/c1-21-12-11(15)9-18-13(19-12)20-7-3-10(4-8-20)22-14-16-5-2-6-17-14/h2,5-6,9-10H,3-4,7-8H2,1H3
InChIKeyLGCHSMFNDROZOC-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.46
Rot. Bonds4

About 5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine

5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine (PubChem CID 135111998) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
PubChem CID135111998
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
SMILESCOc1nc(N2CCC(Oc3ncccn3)CC2)ncc1F
InChIInChI=1S/C14H16FN5O2/c1-21-12-11(15)9-18-13(19-12)20-7-3-10(4-8-20)22-14-16-5-2-6-17-14/h2,5-6,9-10H,3-4,7-8H2,1H3
InChIKeyLGCHSMFNDROZOC-UHFFFAOYSA-N
XLogP1.46
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine (CID 135111998) is 5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine is COc1nc(N2CCC(Oc3ncccn3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
The InChIKey is LGCHSMFNDROZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-21-12-11(15)9-18-13(19-12)20-7-3-10(4-8-20)22-14-16-5-2-6-17-14/h2,5-6,9-10H,3-4,7-8H2,1H3.
What are the key properties of 5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine has a molecular weight of 305.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 135111998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).