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

C10H16N4O2 — CID 102741495

IUPAC5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
SMILESCN(CCOc1nc[nH]c(=O)c1N)C1CC1
InChIInChI=1S/C10H16N4O2/c1-14(7-2-3-7)4-5-16-10-8(11)9(15)12-6-13-10/h6-7H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyXFWKHZMYTJFRJN-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.17
Rot. Bonds5

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

5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one (PubChem CID 102741495) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
PubChem CID102741495
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
SMILESCN(CCOc1nc[nH]c(=O)c1N)C1CC1
InChIInChI=1S/C10H16N4O2/c1-14(7-2-3-7)4-5-16-10-8(11)9(15)12-6-13-10/h6-7H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyXFWKHZMYTJFRJN-UHFFFAOYSA-N
XLogP-0.17
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 102740477
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 102741498
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741500
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-[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
5-amino-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586303
5-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586313

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one (CID 102741495) is 5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one is CN(CCOc1nc[nH]c(=O)c1N)C1CC1.
What is the InChIKey of 5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is XFWKHZMYTJFRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14(7-2-3-7)4-5-16-10-8(11)9(15)12-6-13-10/h6-7H,2-5,11H2,1H3,(H,12,13,15).
What are the key properties of 5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 102741495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).