2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine

C14H16ClN5O — CID 172900064

IUPAC2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine
SMILESCc1cnc(OC2CCCN(c3ncc(Cl)cn3)C2)nc1
InChIInChI=1S/C14H16ClN5O/c1-10-5-18-14(19-6-10)21-12-3-2-4-20(9-12)13-16-7-11(15)8-17-13/h5-8,12H,2-4,9H2,1H3
InChIKeyQGXGYJRYLVWOJM-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.28
Rot. Bonds3

About 2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine

2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine (PubChem CID 172900064) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine.

Molecular Properties

Compound Name2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine
PubChem CID172900064
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine
SMILESCc1cnc(OC2CCCN(c3ncc(Cl)cn3)C2)nc1
InChIInChI=1S/C14H16ClN5O/c1-10-5-18-14(19-6-10)21-12-3-2-4-20(9-12)13-16-7-11(15)8-17-13/h5-8,12H,2-4,9H2,1H3
InChIKeyQGXGYJRYLVWOJM-UHFFFAOYSA-N
XLogP2.28
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172901093
2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172899637
5-chloro-2-cyclobutyloxypyrimidine
CID 126953902
2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701732
5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 126853062
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine
CID 171701964
5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 172880679
2,5-dimethyl-3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine
CID 171701875
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 134503335
2-cyclopropyl-4-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 172903501
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine?
The IUPAC name of 2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine (CID 172900064) is 2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine.
What is the SMILES notation for 2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine?
The canonical SMILES for 2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine is Cc1cnc(OC2CCCN(c3ncc(Cl)cn3)C2)nc1.
What is the InChIKey of 2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine?
The InChIKey is QGXGYJRYLVWOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-10-5-18-14(19-6-10)21-12-3-2-4-20(9-12)13-16-7-11(15)8-17-13/h5-8,12H,2-4,9H2,1H3.
What are the key properties of 2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine?
2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine has a molecular weight of 305.77 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine is sourced from PubChem (CID 172900064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).