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

C9H15N3O3 — CID 136852197

IUPAC4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
SMILESCOCC(CNc1cc(=O)[nH]cn1)OC
InChIInChI=1S/C9H15N3O3/c1-14-5-7(15-2)4-10-8-3-9(13)12-6-11-8/h3,6-7H,4-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyBZOLVDPVFHHCTK-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.16
Rot. Bonds6

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

4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136852197) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
PubChem CID136852197
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
SMILESCOCC(CNc1cc(=O)[nH]cn1)OC
InChIInChI=1S/C9H15N3O3/c1-14-5-7(15-2)4-10-8-3-9(13)12-6-11-8/h3,6-7H,4-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyBZOLVDPVFHHCTK-UHFFFAOYSA-N
XLogP-0.16
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one (CID 136852197) is 4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one is COCC(CNc1cc(=O)[nH]cn1)OC.
What is the InChIKey of 4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is BZOLVDPVFHHCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-14-5-7(15-2)4-10-8-3-9(13)12-6-11-8/h3,6-7H,4-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one?
4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).