5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one

C10H18N4O — CID 137009099

IUPAC5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O/c1-4-7(2)5-14(3)9-8(11)10(15)13-6-12-9/h6-7H,4-5,11H2,1-3H3,(H,12,13,15)
InChIKeySSRGOZFYAVSJJC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.83
Rot. Bonds4

About 5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 137009099) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID137009099
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O/c1-4-7(2)5-14(3)9-8(11)10(15)13-6-12-9/h6-7H,4-5,11H2,1-3H3,(H,12,13,15)
InChIKeySSRGOZFYAVSJJC-UHFFFAOYSA-N
XLogP0.83
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
CID 136979598
5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 137009854
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
5-amino-4-[chloro(iodo)amino]-1H-pyrimidin-6-one
CID 166673253
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyrazin-2-amine
CID 62671805
5-chloro-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009951
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 137009322
5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136999433
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136979773

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one (CID 137009099) is 5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one is CCC(C)CN(C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is SSRGOZFYAVSJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-7(2)5-14(3)9-8(11)10(15)13-6-12-9/h6-7H,4-5,11H2,1-3H3,(H,12,13,15).
What are the key properties of 5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).