2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine

C14H21ClFN3O — CID 90018951

IUPAC2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine
SMILESCC(C)(F)CN1CCC(COc2cnc(Cl)nc2)CC1
InChIInChI=1S/C14H21ClFN3O/c1-14(2,16)10-19-5-3-11(4-6-19)9-20-12-7-17-13(15)18-8-12/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeySYLVRWVTNNMQHA-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.97
Rot. Bonds5

About 2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine

2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine (PubChem CID 90018951) has the molecular formula C14H21ClFN3O and a molecular weight of 301.79 g/mol. Its IUPAC name is 2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine
PubChem CID90018951
Molecular FormulaC14H21ClFN3O
Molecular Weight301.79 g/mol
Exact Mass301.14
IUPAC Name2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine
SMILESCC(C)(F)CN1CCC(COc2cnc(Cl)nc2)CC1
InChIInChI=1S/C14H21ClFN3O/c1-14(2,16)10-19-5-3-11(4-6-19)9-20-12-7-17-13(15)18-8-12/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeySYLVRWVTNNMQHA-UHFFFAOYSA-N
XLogP2.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine?
The IUPAC name of 2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine (CID 90018951) is 2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine is CC(C)(F)CN1CCC(COc2cnc(Cl)nc2)CC1.
What is the InChIKey of 2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine?
The InChIKey is SYLVRWVTNNMQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3O/c1-14(2,16)10-19-5-3-11(4-6-19)9-20-12-7-17-13(15)18-8-12/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine?
2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine has a molecular weight of 301.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 90018951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).