4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one

C11H17N3O3 — CID 136960396

IUPAC4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(N)cc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H17N3O3/c1-2-17-11(3-5-16-6-4-11)10-13-8(12)7-9(15)14-10/h7H,2-6H2,1H3,(H3,12,13,14,15)
InChIKeyQTFQQQSRQROTNN-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.39
Rot. Bonds3

About 4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one

4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 136960396) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
PubChem CID136960396
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(N)cc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H17N3O3/c1-2-17-11(3-5-16-6-4-11)10-13-8(12)7-9(15)14-10/h7H,2-6H2,1H3,(H3,12,13,14,15)
InChIKeyQTFQQQSRQROTNN-UHFFFAOYSA-N
XLogP0.39
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963634
2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136963559
4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773806
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963776
4-tert-butyl-2-(4-ethoxyoxan-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136963943
2-(4-ethoxyoxan-4-yl)-1H-imidazole-5-carbaldehyde
CID 116782023
2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 137017909
2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
CID 116782575
5-bromo-4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136964072
2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963627
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137017835
2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696148

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one (CID 136960396) is 4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one is CCOC1(c2nc(N)cc(=O)[nH]2)CCOCC1.
What is the InChIKey of 4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is QTFQQQSRQROTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-17-11(3-5-16-6-4-11)10-13-8(12)7-9(15)14-10/h7H,2-6H2,1H3,(H3,12,13,14,15).
What are the key properties of 4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136960396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).