4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one

C12H22N4O2 — CID 136870186

IUPAC4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(C)N(C)CCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H22N4O2/c1-5-9(2)16(3)7-6-13-11-10(18-4)12(17)15-8-14-11/h8-9H,5-7H2,1-4H3,(H2,13,14,15,17)
InChIKeyGUBWXMTWZDDNHZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.92
Rot. Bonds7

About 4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one

4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136870186) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136870186
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(C)N(C)CCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H22N4O2/c1-5-9(2)16(3)7-6-13-11-10(18-4)12(17)15-8-14-11/h8-9H,5-7H2,1-4H3,(H2,13,14,15,17)
InChIKeyGUBWXMTWZDDNHZ-UHFFFAOYSA-N
XLogP0.92
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136870186) is 4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one is CCC(C)N(C)CCNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is GUBWXMTWZDDNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-9(2)16(3)7-6-13-11-10(18-4)12(17)15-8-14-11/h8-9H,5-7H2,1-4H3,(H2,13,14,15,17).
What are the key properties of 4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136870186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).