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

C13H24N4O2 — CID 136857368

IUPAC4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC(C)(O)CN(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O2/c1-9(2)12-15-10(6-11(18)16-12)14-7-13(3,19)8-17(4)5/h6,9,19H,7-8H2,1-5H3,(H2,14,15,16,18)
InChIKeyGTDWBZMPLOHZER-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.62
Rot. Bonds6

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

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136857368) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136857368
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC(C)(O)CN(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O2/c1-9(2)12-15-10(6-11(18)16-12)14-7-13(3,19)8-17(4)5/h6,9,19H,7-8H2,1-5H3,(H2,14,15,16,18)
InChIKeyGTDWBZMPLOHZER-UHFFFAOYSA-N
XLogP0.62
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.62
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-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136857368) is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC(C)(O)CN(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GTDWBZMPLOHZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(2)12-15-10(6-11(18)16-12)14-7-13(3,19)8-17(4)5/h6,9,19H,7-8H2,1-5H3,(H2,14,15,16,18).
What are the key properties of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 268.36 g/mol, XLogP of 0.62, 6 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136857368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).