4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one

C10H17N3O3 — CID 136977086

IUPAC4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCOC(C)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O3/c1-4-16-7(2)5-11-9-8(15-3)10(14)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeySINVTLHHDQJQEU-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.62
Rot. Bonds6

About 4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one

4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136977086) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136977086
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCOC(C)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O3/c1-4-16-7(2)5-11-9-8(15-3)10(14)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeySINVTLHHDQJQEU-UHFFFAOYSA-N
XLogP0.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136977086) is 4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one is CCOC(C)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SINVTLHHDQJQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-16-7(2)5-11-9-8(15-3)10(14)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136977086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).