5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one

C8H14N4O2 — CID 114586313

IUPAC5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3,9H2,1-2H3,(H,11,12,13)
InChIKeyLOTCCWPHGCGXAG-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.66
Rot. Bonds4

About 5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one

5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one (PubChem CID 114586313) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
PubChem CID114586313
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3,9H2,1-2H3,(H,11,12,13)
InChIKeyLOTCCWPHGCGXAG-UHFFFAOYSA-N
XLogP-0.66
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-amino-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635012
5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741495
5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240699
5-amino-4-butan-2-yloxy-1H-pyrimidin-6-one
CID 103240850
5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241376
5-amino-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241411
5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241435
5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103241634
5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
CID 103241795
5-amino-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103241819
5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 103241873

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one (CID 114586313) is 5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one is CNCC(C)Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The InChIKey is LOTCCWPHGCGXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3,9H2,1-2H3,(H,11,12,13).
What are the key properties of 5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).