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

C13H22N4O2 — CID 136976691

IUPAC5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCCC1(CC)CC(Nc2nc[nH]c(=O)c2N)CCO1
InChIInChI=1S/C13H22N4O2/c1-3-13(4-2)7-9(5-6-19-13)17-11-10(14)12(18)16-8-15-11/h8-9H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyAKMYUTDWXQSIEW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.50
Rot. Bonds4

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

5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136976691) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136976691
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCCC1(CC)CC(Nc2nc[nH]c(=O)c2N)CCO1
InChIInChI=1S/C13H22N4O2/c1-3-13(4-2)7-9(5-6-19-13)17-11-10(14)12(18)16-8-15-11/h8-9H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyAKMYUTDWXQSIEW-UHFFFAOYSA-N
XLogP1.50
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one (CID 136976691) is 5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one is CCC1(CC)CC(Nc2nc[nH]c(=O)c2N)CCO1.
What is the InChIKey of 5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is AKMYUTDWXQSIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-13(4-2)7-9(5-6-19-13)17-11-10(14)12(18)16-8-15-11/h8-9H,3-7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2,2-diethyloxan-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).