3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C13H22N4O — CID 91780467

IUPAC3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(C)CCN(C)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-16(2)4-5-17(3)13-8-12(14-9-15-13)10-6-11(18)7-10/h8-11,18H,4-7H2,1-3H3
InChIKeyPGBLXGUFQBCYPA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.71
Rot. Bonds5

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

3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91780467) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91780467
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(C)CCN(C)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-16(2)4-5-17(3)13-8-12(14-9-15-13)10-6-11(18)7-10/h8-11,18H,4-7H2,1-3H3
InChIKeyPGBLXGUFQBCYPA-UHFFFAOYSA-N
XLogP0.71
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91780467) is 3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol is CN(C)CCN(C)c1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is PGBLXGUFQBCYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)4-5-17(3)13-8-12(14-9-15-13)10-6-11(18)7-10/h8-11,18H,4-7H2,1-3H3.
What are the key properties of 3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(dimethylamino)ethyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91780467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).