5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one

C10H16N4O2 — CID 136870666

IUPAC5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O2/c1-6-10(2,3-4-16-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyIBKLXLFEIORKSS-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.33
Rot. Bonds2

About 5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870666) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870666
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O2/c1-6-10(2,3-4-16-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyIBKLXLFEIORKSS-UHFFFAOYSA-N
XLogP0.33
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 135709704
5-bromo-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870655
4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136870656
5-chloro-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870657
4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870670
5-amino-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905785
5-amino-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905795
4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136948171
5-amino-4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one
CID 136975753
5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976363
5-amino-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136976612
5-amino-4-(2-ethoxypropylamino)-1H-pyrimidin-6-one
CID 136977083

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136870666) is 5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one is CC1OCCC1(C)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is IBKLXLFEIORKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-10(2,3-4-16-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).