4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one

C10H18N4O — CID 167149217

IUPAC4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one
SMILESCC(C)N(C(C)C)n1ccc(N)nc1=O
InChIInChI=1S/C10H18N4O/c1-7(2)14(8(3)4)13-6-5-9(11)12-10(13)15/h5-8H,1-4H3,(H2,11,12,15)
InChIKeyIOBFMROOOOWUEU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.58
Rot. Bonds3

About 4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one

4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one (PubChem CID 167149217) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one
PubChem CID167149217
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one
SMILESCC(C)N(C(C)C)n1ccc(N)nc1=O
InChIInChI=1S/C10H18N4O/c1-7(2)14(8(3)4)13-6-5-9(11)12-10(13)15/h5-8H,1-4H3,(H2,11,12,15)
InChIKeyIOBFMROOOOWUEU-UHFFFAOYSA-N
XLogP0.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methylpyrimidin-2-one;hydrobromide
CID 91983314
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
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4-amino-1-methylpyrimidin-2-one;propane
CID 143278150
4-amino-1-prop-1-en-2-ylpyrimidin-2-one
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1-acetyl-4-aminopyrimidin-2-one;methane
CID 174689479
4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
CID 134425665
4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one
CID 71218250
4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
CID 90410803
CID 144985274
CID 144985274
4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one
CID 155393177
4-amino-1-(1-aminoprop-2-enyl)pyrimidin-2-one
CID 69107889
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CID 123396740

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one (CID 167149217) is 4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one is CC(C)N(C(C)C)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one?
The InChIKey is IOBFMROOOOWUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)14(8(3)4)13-6-5-9(11)12-10(13)15/h5-8H,1-4H3,(H2,11,12,15).
What are the key properties of 4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one?
4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one is sourced from PubChem (CID 167149217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).