2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine

C16H19Cl2N5O — CID 140577363

IUPAC2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine
SMILESCCC(Oc1cnc(Cl)nc1)C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C16H19Cl2N5O/c1-2-14(24-13-9-19-15(18)20-10-13)11-3-5-23(6-4-11)16-21-7-12(17)8-22-16/h7-11,14H,2-6H2,1H3
InChIKeyMCIWZHDEVCHZLS-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.65
Rot. Bonds5

About 2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine

2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine (PubChem CID 140577363) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is 2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine
PubChem CID140577363
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC Name2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine
SMILESCCC(Oc1cnc(Cl)nc1)C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C16H19Cl2N5O/c1-2-14(24-13-9-19-15(18)20-10-13)11-3-5-23(6-4-11)16-21-7-12(17)8-22-16/h7-11,14H,2-6H2,1H3
InChIKeyMCIWZHDEVCHZLS-UHFFFAOYSA-N
XLogP3.65
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine
CID 155179640
5-chloro-2-[4-(4-ethylcyclobut-2-yn-1-yl)piperidin-1-yl]pyrimidine
CID 123959617
5-bromo-2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175223418
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine
CID 171691306
2-[4-[(3R)-3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]butoxy]phenyl]cyclopropane-1-carboxylic acid
CID 71667058
5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 126853062
propan-2-yl 4-[(1S)-1-(2-chloropyrimidin-5-yl)oxyethyl]piperidine-1-carboxylate
CID 154077034
5-chloro-2-[4-[3-methyl-5-(4-methylsulfinylphenoxy)pentan-2-yl]piperidin-1-yl]pyrimidine
CID 71165000
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine?
The IUPAC name of 2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine (CID 140577363) is 2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine is CCC(Oc1cnc(Cl)nc1)C1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine?
The InChIKey is MCIWZHDEVCHZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c1-2-14(24-13-9-19-15(18)20-10-13)11-3-5-23(6-4-11)16-21-7-12(17)8-22-16/h7-11,14H,2-6H2,1H3.
What are the key properties of 2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine?
2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine has a molecular weight of 368.27 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]pyrimidine is sourced from PubChem (CID 140577363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).