3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

C17H29N5O — CID 91783406

IUPAC3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C17H29N5O/c1-13-18-16(14-10-15(23)11-14)12-17(19-13)22-8-6-21(7-9-22)5-4-20(2)3/h12,14-15,23H,4-11H2,1-3H3
InChIKeyRBKGNWVXMHOHCG-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.71
Rot. Bonds5

About 3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91783406) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91783406
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C17H29N5O/c1-13-18-16(14-10-15(23)11-14)12-17(19-13)22-8-6-21(7-9-22)5-4-20(2)3/h12,14-15,23H,4-11H2,1-3H3
InChIKeyRBKGNWVXMHOHCG-UHFFFAOYSA-N
XLogP0.71
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (CID 91783406) is 3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(C2CC(O)C2)cc(N2CCN(CCN(C)C)CC2)n1.
What is the InChIKey of 3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is RBKGNWVXMHOHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13-18-16(14-10-15(23)11-14)12-17(19-13)22-8-6-21(7-9-22)5-4-20(2)3/h12,14-15,23H,4-11H2,1-3H3.
What are the key properties of 3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 319.45 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91783406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).