4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one

C10H17N3O4 — CID 136852190

IUPAC4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(CNc1nc[nH]c(=O)c1OC)OC
InChIInChI=1S/C10H17N3O4/c1-15-5-7(16-2)4-11-9-8(17-3)10(14)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyNYCBBLWXOPPCTA-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.15
Rot. Bonds7

About 4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one

4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136852190) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136852190
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(CNc1nc[nH]c(=O)c1OC)OC
InChIInChI=1S/C10H17N3O4/c1-15-5-7(16-2)4-11-9-8(17-3)10(14)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyNYCBBLWXOPPCTA-UHFFFAOYSA-N
XLogP-0.15
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136852190) is 4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one is COCC(CNc1nc[nH]c(=O)c1OC)OC.
What is the InChIKey of 4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is NYCBBLWXOPPCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-15-5-7(16-2)4-11-9-8(17-3)10(14)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 243.26 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136852190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).