4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine

C12H15ClFN3 — CID 121200880

IUPAC4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
SMILESFC1CCCN(c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C12H15ClFN3/c13-10-6-11(16-12(15-10)8-3-4-8)17-5-1-2-9(14)7-17/h6,8-9H,1-5,7H2
InChIKeyDQSZHUPDLJIXFH-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.95
Rot. Bonds2

About 4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine

4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine (PubChem CID 121200880) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
PubChem CID121200880
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC Name4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
SMILESFC1CCCN(c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C12H15ClFN3/c13-10-6-11(16-12(15-10)8-3-4-8)17-5-1-2-9(14)7-17/h6,8-9H,1-5,7H2
InChIKeyDQSZHUPDLJIXFH-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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Related Compounds

4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 80950703
4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
CID 80953514
methyl 2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444450
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108646
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338
[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80954082
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione
CID 80951742
4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine
CID 167225907

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine (CID 121200880) is 4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine is FC1CCCN(c2cc(Cl)nc(C3CC3)n2)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine?
The InChIKey is DQSZHUPDLJIXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3/c13-10-6-11(16-12(15-10)8-3-4-8)17-5-1-2-9(14)7-17/h6,8-9H,1-5,7H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine?
4-chloro-2-cyclopropyl-6-(3-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-(3-fluoropiperidin-1-yl)pyrimidine is sourced from PubChem (CID 121200880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).