4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine

C12H15ClFN3 — CID 121200851

IUPAC4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine
SMILESFC1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C12H15ClFN3/c13-10-7-11(16-12(15-10)8-1-2-8)17-5-3-9(14)4-6-17/h7-9H,1-6H2
InChIKeyMKAFKQGZWNXZBU-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.95
Rot. Bonds2

About 4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine

4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine (PubChem CID 121200851) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine
PubChem CID121200851
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC Name4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine
SMILESFC1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C12H15ClFN3/c13-10-7-11(16-12(15-10)8-1-2-8)17-5-3-9(14)4-6-17/h7-9H,1-6H2
InChIKeyMKAFKQGZWNXZBU-UHFFFAOYSA-N
XLogP2.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine (CID 121200851) is 4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine is FC1CCN(c2cc(Cl)nc(C3CC3)n2)CC1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine?
The InChIKey is MKAFKQGZWNXZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3/c13-10-7-11(16-12(15-10)8-1-2-8)17-5-3-9(14)4-6-17/h7-9H,1-6H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine?
4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine has a molecular weight of 255.72 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(4-fluoropiperidin-1-yl)pyrimidine is sourced from PubChem (CID 121200851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).