4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one

C11H20N4O2 — CID 136857369

IUPAC4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC(C)(O)CN(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O2/c1-8-13-9(5-10(16)14-8)12-6-11(2,17)7-15(3)4/h5,17H,6-7H2,1-4H3,(H2,12,13,14,16)
InChIKeyZRGBULIGLYOPCE-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.20
Rot. Bonds5

About 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136857369) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136857369
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC(C)(O)CN(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O2/c1-8-13-9(5-10(16)14-8)12-6-11(2,17)7-15(3)4/h5,17H,6-7H2,1-4H3,(H2,12,13,14,16)
InChIKeyZRGBULIGLYOPCE-UHFFFAOYSA-N
XLogP-0.20
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one (CID 136857369) is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCC(C)(O)CN(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZRGBULIGLYOPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8-13-9(5-10(16)14-8)12-6-11(2,17)7-15(3)4/h5,17H,6-7H2,1-4H3,(H2,12,13,14,16).
What are the key properties of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one?
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136857369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).