4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one

C12H22N4O2 — CID 136978681

IUPAC4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC(C)(C)CN)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H22N4O2/c1-5-16(7-12(2,3)6-13)10-9(18-4)11(17)15-8-14-10/h8H,5-7,13H2,1-4H3,(H,14,15,17)
InChIKeyVGYFPPSMSZWZDX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.59
Rot. Bonds6

About 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136978681) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136978681
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC(C)(C)CN)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H22N4O2/c1-5-16(7-12(2,3)6-13)10-9(18-4)11(17)15-8-14-10/h8H,5-7,13H2,1-4H3,(H,14,15,17)
InChIKeyVGYFPPSMSZWZDX-UHFFFAOYSA-N
XLogP0.59
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136978684
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972773
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136979773
ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate
CID 136989669
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367
2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 137015754
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972734
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136978681) is 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one is CCN(CC(C)(C)CN)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is VGYFPPSMSZWZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-16(7-12(2,3)6-13)10-9(18-4)11(17)15-8-14-10/h8H,5-7,13H2,1-4H3,(H,14,15,17).
What are the key properties of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136978681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).