[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol

C19H23Cl2N3O — CID 133321390

IUPAC[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol
SMILESCCc1c(Cl)nc(C)nc1N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23Cl2N3O/c1-3-16-18(21)22-12(2)23-19(16)24-10-8-14(9-11-24)17(25)13-4-6-15(20)7-5-13/h4-7,14,17,25H,3,8-11H2,1-2H3
InChIKeyJUMNBQJZUKNIAA-UHFFFAOYSA-N
MW380.32 g/mol
LogP4.60
Rot. Bonds4

About [1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol

[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol (PubChem CID 133321390) has the molecular formula C19H23Cl2N3O and a molecular weight of 380.32 g/mol. Its IUPAC name is [1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol
PubChem CID133321390
Molecular FormulaC19H23Cl2N3O
Molecular Weight380.32 g/mol
Exact Mass379.12
IUPAC Name[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol
SMILESCCc1c(Cl)nc(C)nc1N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23Cl2N3O/c1-3-16-18(21)22-12(2)23-19(16)24-10-8-14(9-11-24)17(25)13-4-6-15(20)7-5-13/h4-7,14,17,25H,3,8-11H2,1-2H3
InChIKeyJUMNBQJZUKNIAA-UHFFFAOYSA-N
XLogP4.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol?
The IUPAC name of [1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol (CID 133321390) is [1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol.
What is the SMILES notation for [1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol?
The canonical SMILES for [1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol is CCc1c(Cl)nc(C)nc1N1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol?
The InChIKey is JUMNBQJZUKNIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O/c1-3-16-18(21)22-12(2)23-19(16)24-10-8-14(9-11-24)17(25)13-4-6-15(20)7-5-13/h4-7,14,17,25H,3,8-11H2,1-2H3.
What are the key properties of [1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol?
[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol has a molecular weight of 380.32 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol is sourced from PubChem (CID 133321390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).