2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine

C16H19ClN4O2 — CID 135154666

IUPAC2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
SMILESCOc1ccc(OC2CCN(c3nc(Cl)ncc3C)CC2)cn1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-19-16(17)20-15(11)21-7-5-12(6-8-21)23-13-3-4-14(22-2)18-10-13/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyWEVQNHRQMGPWPD-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine

2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine (PubChem CID 135154666) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
PubChem CID135154666
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
SMILESCOc1ccc(OC2CCN(c3nc(Cl)ncc3C)CC2)cn1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-19-16(17)20-15(11)21-7-5-12(6-8-21)23-13-3-4-14(22-2)18-10-13/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyWEVQNHRQMGPWPD-UHFFFAOYSA-N
XLogP2.89
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 79075665
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1H-pyrazolo[5,4-b]pyridine
CID 135154189
4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine
CID 135154118
7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one
CID 135154104
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
CID 135154625
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one
CID 129277501
1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 135154722
2-amino-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N,5-dimethylpyridine-3-carboxamide
CID 135154350
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
CID 159033154
(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7-trimethylpyrrolo[3,4-b]pyridin-5-one
CID 129277951
1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one
CID 135154709
[(7S)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7-dimethyl-5-methylidene-6H-pyrrolo[3,4-b]pyridin-7-yl]methanol
CID 129302130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine (CID 135154666) is 2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine is COc1ccc(OC2CCN(c3nc(Cl)ncc3C)CC2)cn1.
What is the InChIKey of 2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine?
The InChIKey is WEVQNHRQMGPWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-9-19-16(17)20-15(11)21-7-5-12(6-8-21)23-13-3-4-14(22-2)18-10-13/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine?
2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine has a molecular weight of 334.81 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 135154666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).