2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol

C18H24N4O — CID 167789936

IUPAC2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
SMILESCc1cc(N2CCC(C(C)CO)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C18H24N4O/c1-13(12-23)15-5-8-22(9-6-15)17-10-14(2)20-18(21-17)16-4-3-7-19-11-16/h3-4,7,10-11,13,15,23H,5-6,8-9,12H2,1-2H3
InChIKeyMLMDXBPXMQZPRB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.69
Rot. Bonds4

About 2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol

2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol (PubChem CID 167789936) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
PubChem CID167789936
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
SMILESCc1cc(N2CCC(C(C)CO)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C18H24N4O/c1-13(12-23)15-5-8-22(9-6-15)17-10-14(2)20-18(21-17)16-4-3-7-19-11-16/h3-4,7,10-11,13,15,23H,5-6,8-9,12H2,1-2H3
InChIKeyMLMDXBPXMQZPRB-UHFFFAOYSA-N
XLogP2.69
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol?
The IUPAC name of 2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol (CID 167789936) is 2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol?
The canonical SMILES for 2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol is Cc1cc(N2CCC(C(C)CO)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol?
The InChIKey is MLMDXBPXMQZPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(12-23)15-5-8-22(9-6-15)17-10-14(2)20-18(21-17)16-4-3-7-19-11-16/h3-4,7,10-11,13,15,23H,5-6,8-9,12H2,1-2H3.
What are the key properties of 2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol?
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol has a molecular weight of 312.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 167789936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).