1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol

C12H20N4O — CID 39830890

IUPAC1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol
SMILESCc1cnc(N2CCC(O)CC2)nc1N(C)C
InChIInChI=1S/C12H20N4O/c1-9-8-13-12(14-11(9)15(2)3)16-6-4-10(17)5-7-16/h8,10,17H,4-7H2,1-3H3
InChIKeyFQIUVHCCYLWHDB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.81
Rot. Bonds2

About 1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol

1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol (PubChem CID 39830890) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol
PubChem CID39830890
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol
SMILESCc1cnc(N2CCC(O)CC2)nc1N(C)C
InChIInChI=1S/C12H20N4O/c1-9-8-13-12(14-11(9)15(2)3)16-6-4-10(17)5-7-16/h8,10,17H,4-7H2,1-3H3
InChIKeyFQIUVHCCYLWHDB-UHFFFAOYSA-N
XLogP0.81
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol (CID 39830890) is 1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol is Cc1cnc(N2CCC(O)CC2)nc1N(C)C.
What is the InChIKey of 1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol?
The InChIKey is FQIUVHCCYLWHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-8-13-12(14-11(9)15(2)3)16-6-4-10(17)5-7-16/h8,10,17H,4-7H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol?
1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol has a molecular weight of 236.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 39830890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).