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

C15H22ClN3O — CID 80953514

IUPAC4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
SMILESCCCOC1CCCN(c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C15H22ClN3O/c1-2-8-20-12-4-3-7-19(10-12)14-9-13(16)17-15(18-14)11-5-6-11/h9,11-12H,2-8,10H2,1H3
InChIKeyODPMDWDYMMAGMN-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.40
Rot. Bonds5

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

4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine (PubChem CID 80953514) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
PubChem CID80953514
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
SMILESCCCOC1CCCN(c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C15H22ClN3O/c1-2-8-20-12-4-3-7-19(10-12)14-9-13(16)17-15(18-14)11-5-6-11/h9,11-12H,2-8,10H2,1H3
InChIKeyODPMDWDYMMAGMN-UHFFFAOYSA-N
XLogP3.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073559
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
CID 54989826
2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806981
4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 83156216
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706
2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80961896
2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine
CID 103886477
1-[2-chloro-4-(chloromethyl)phenyl]-3-propoxypiperidine
CID 81152608
4-(chloromethyl)-6-methyl-2-(3-propoxypiperidin-1-yl)pyrimidine
CID 114220020

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine (CID 80953514) is 4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine is CCCOC1CCCN(c2cc(Cl)nc(C3CC3)n2)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine?
The InChIKey is ODPMDWDYMMAGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-8-20-12-4-3-7-19(10-12)14-9-13(16)17-15(18-14)11-5-6-11/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine?
4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine has a molecular weight of 295.81 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 80953514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).