5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine

C19H23ClN4O — CID 123460014

IUPAC5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine
SMILESClc1cnc(N2CCC([C@H]3C[C@H]3CCOc3cccnc3)CC2)nc1
InChIInChI=1S/C19H23ClN4O/c20-16-11-22-19(23-12-16)24-7-3-14(4-8-24)18-10-15(18)5-9-25-17-2-1-6-21-13-17/h1-2,6,11-15,18H,3-5,7-10H2/t15-,18-/m1/s1
InChIKeyJHMRTHMTWRCZOV-CRAIPNDOSA-N
MW358.87 g/mol
LogP3.85
Rot. Bonds6

About 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine

5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine (PubChem CID 123460014) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine
PubChem CID123460014
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine
SMILESClc1cnc(N2CCC([C@H]3C[C@H]3CCOc3cccnc3)CC2)nc1
InChIInChI=1S/C19H23ClN4O/c20-16-11-22-19(23-12-16)24-7-3-14(4-8-24)18-10-15(18)5-9-25-17-2-1-6-21-13-17/h1-2,6,11-15,18H,3-5,7-10H2/t15-,18-/m1/s1
InChIKeyJHMRTHMTWRCZOV-CRAIPNDOSA-N
XLogP3.85
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole
CID 58128546
2-[(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 126694308
2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 124563475
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
CID 58128541
[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol
CID 89484385
4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine
CID 143879586
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone
CID 123704141
5-chloro-2-[4-[2-[2-(2-methyl-1-piperidin-4-ylpropoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 123172795
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,3-difluoroazetidin-1-yl)ethanone
CID 78116992
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 78117122
5-chloro-2-[4-[2-[2-[(1-propan-2-ylsulfanylpiperidin-4-yl)methoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 126694034
1-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]piperidin-1-yl]propan-1-one
CID 78097415

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine (CID 123460014) is 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine is Clc1cnc(N2CCC([C@H]3C[C@H]3CCOc3cccnc3)CC2)nc1.
What is the InChIKey of 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine?
The InChIKey is JHMRTHMTWRCZOV-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-16-11-22-19(23-12-16)24-7-3-14(4-8-24)18-10-15(18)5-9-25-17-2-1-6-21-13-17/h1-2,6,11-15,18H,3-5,7-10H2/t15-,18-/m1/s1.
What are the key properties of 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine?
5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine has a molecular weight of 358.87 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 123460014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).