2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine

C16H19ClN4O — CID 163354645

IUPAC2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCCC(COc3ncccc3Cl)C2)nc1
InChIInChI=1S/C16H19ClN4O/c1-12-8-19-16(20-9-12)21-7-3-4-13(10-21)11-22-15-14(17)5-2-6-18-15/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3
InChIKeyMFPWIJLPCUHJRT-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.13
Rot. Bonds4

About 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine

2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine (PubChem CID 163354645) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
PubChem CID163354645
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCCC(COc3ncccc3Cl)C2)nc1
InChIInChI=1S/C16H19ClN4O/c1-12-8-19-16(20-9-12)21-7-3-4-13(10-21)11-22-15-14(17)5-2-6-18-15/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3
InChIKeyMFPWIJLPCUHJRT-UHFFFAOYSA-N
XLogP3.13
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine (CID 163354645) is 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine is Cc1cnc(N2CCCC(COc3ncccc3Cl)C2)nc1.
What is the InChIKey of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine?
The InChIKey is MFPWIJLPCUHJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12-8-19-16(20-9-12)21-7-3-4-13(10-21)11-22-15-14(17)5-2-6-18-15/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3.
What are the key properties of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine?
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine has a molecular weight of 318.81 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 163354645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).