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

C17H21ClN4O3 — CID 135153922

IUPAC[4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
SMILESCOc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cn1
InChIInChI=1S/C17H21ClN4O3/c1-11-16(18)20-14(10-23)21-17(11)22-7-5-12(6-8-22)25-13-3-4-15(24-2)19-9-13/h3-4,9,12,23H,5-8,10H2,1-2H3
InChIKeyKLOQNFVHWURQQJ-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.38
Rot. Bonds5

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

[4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol (PubChem CID 135153922) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is [4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
PubChem CID135153922
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name[4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
SMILESCOc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cn1
InChIInChI=1S/C17H21ClN4O3/c1-11-16(18)20-14(10-23)21-17(11)22-7-5-12(6-8-22)25-13-3-4-15(24-2)19-9-13/h3-4,9,12,23H,5-8,10H2,1-2H3
InChIKeyKLOQNFVHWURQQJ-UHFFFAOYSA-N
XLogP2.38
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The IUPAC name of [4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol (CID 135153922) is [4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol.
What is the SMILES notation for [4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The canonical SMILES for [4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol is COc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cn1.
What is the InChIKey of [4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The InChIKey is KLOQNFVHWURQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-11-16(18)20-14(10-23)21-17(11)22-7-5-12(6-8-22)25-13-3-4-15(24-2)19-9-13/h3-4,9,12,23H,5-8,10H2,1-2H3.
What are the key properties of [4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
[4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol has a molecular weight of 364.83 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol is sourced from PubChem (CID 135153922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).