5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one

C12H22N4O2 — CID 103241873

IUPAC5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)N(CCOc1nc[nH]c(=O)c1N)C(C)C
InChIInChI=1S/C12H22N4O2/c1-8(2)16(9(3)4)5-6-18-12-10(13)11(17)14-7-15-12/h7-9H,5-6,13H2,1-4H3,(H,14,15,17)
InChIKeyJWMDMNSVPIIHQB-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.85
Rot. Bonds6

About 5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one

5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241873) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
PubChem CID103241873
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)N(CCOc1nc[nH]c(=O)c1N)C(C)C
InChIInChI=1S/C12H22N4O2/c1-8(2)16(9(3)4)5-6-18-12-10(13)11(17)14-7-15-12/h7-9H,5-6,13H2,1-4H3,(H,14,15,17)
InChIKeyJWMDMNSVPIIHQB-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-dimethoxypropan-2-ylamino)-4-methyl-1H-pyrimidin-6-one
CID 140038029
5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741495
5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241376
5-amino-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241385
5-amino-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241411
5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241424
5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241435
5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241696
5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
CID 103241795
4-[2-[di(propan-2-yl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241877
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 113604288
5-chloro-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 113616107

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one (CID 103241873) is 5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one is CC(C)N(CCOc1nc[nH]c(=O)c1N)C(C)C.
What is the InChIKey of 5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is JWMDMNSVPIIHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)16(9(3)4)5-6-18-12-10(13)11(17)14-7-15-12/h7-9H,5-6,13H2,1-4H3,(H,14,15,17).
What are the key properties of 5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one?
5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).