1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol

C13H22N4O — CID 45190787

IUPAC1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol
SMILESCc1nc(N(C)C)nc(N2CCCC(O)C2)c1C
InChIInChI=1S/C13H22N4O/c1-9-10(2)14-13(16(3)4)15-12(9)17-7-5-6-11(18)8-17/h11,18H,5-8H2,1-4H3
InChIKeyYGBLQPCDHGFEOO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds2

About 1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol

1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol (PubChem CID 45190787) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol
PubChem CID45190787
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol
SMILESCc1nc(N(C)C)nc(N2CCCC(O)C2)c1C
InChIInChI=1S/C13H22N4O/c1-9-10(2)14-13(16(3)4)15-12(9)17-7-5-6-11(18)8-17/h11,18H,5-8H2,1-4H3
InChIKeyYGBLQPCDHGFEOO-UHFFFAOYSA-N
XLogP1.12
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol (CID 45190787) is 1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol is Cc1nc(N(C)C)nc(N2CCCC(O)C2)c1C.
What is the InChIKey of 1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol?
The InChIKey is YGBLQPCDHGFEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-10(2)14-13(16(3)4)15-12(9)17-7-5-6-11(18)8-17/h11,18H,5-8H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol?
1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol has a molecular weight of 250.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 45190787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).