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

C11H20N4O — CID 136956404

IUPAC4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
SMILESCC(C)C(CN(C)C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H20N4O/c1-8(2)9(6-15(3)4)14-10-5-11(16)13-7-12-10/h5,7-9H,6H2,1-4H3,(H2,12,13,14,16)
InChIKeyAFEZIWJONDNVMY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.77
Rot. Bonds5

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

4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136956404) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
PubChem CID136956404
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
SMILESCC(C)C(CN(C)C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H20N4O/c1-8(2)9(6-15(3)4)14-10-5-11(16)13-7-12-10/h5,7-9H,6H2,1-4H3,(H2,12,13,14,16)
InChIKeyAFEZIWJONDNVMY-UHFFFAOYSA-N
XLogP0.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one (CID 136956404) is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one is CC(C)C(CN(C)C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is AFEZIWJONDNVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)9(6-15(3)4)14-10-5-11(16)13-7-12-10/h5,7-9H,6H2,1-4H3,(H2,12,13,14,16).
What are the key properties of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).