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

C9H16N4O2 — CID 114586386

IUPAC5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)NCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-6(2)11-3-4-15-9-7(10)8(14)12-5-13-9/h5-6,11H,3-4,10H2,1-2H3,(H,12,13,14)
InChIKeyVRMGYDOVDRIWAH-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.27
Rot. Bonds5

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

5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586386) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586386
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)NCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-6(2)11-3-4-15-9-7(10)8(14)12-5-13-9/h5-6,11H,3-4,10H2,1-2H3,(H,12,13,14)
InChIKeyVRMGYDOVDRIWAH-UHFFFAOYSA-N
XLogP-0.27
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-dimethoxypropan-2-ylamino)-4-methyl-1H-pyrimidin-6-one
CID 140038029
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-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241376
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-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
CID 103241795
5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 103241873
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 113604288
4-[2-[di(propan-2-yl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 113616108
4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 113792798

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586386) is 5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is CC(C)NCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is VRMGYDOVDRIWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(2)11-3-4-15-9-7(10)8(14)12-5-13-9/h5-6,11H,3-4,10H2,1-2H3,(H,12,13,14).
What are the key properties of 5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).