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

C8H13N3O4 — CID 136976245

IUPAC4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC(O)CO)nc[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-15-6-7(9-2-5(13)3-12)10-4-11-8(6)14/h4-5,12-13H,2-3H2,1H3,(H2,9,10,11,14)
InChIKeyNZQQWQKPXPYWSI-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.46
Rot. Bonds5

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

4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136976245) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136976245
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC(O)CO)nc[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-15-6-7(9-2-5(13)3-12)10-4-11-8(6)14/h4-5,12-13H,2-3H2,1H3,(H2,9,10,11,14)
InChIKeyNZQQWQKPXPYWSI-UHFFFAOYSA-N
XLogP-1.46
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136976245) is 4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC(O)CO)nc[nH]c1=O.
What is the InChIKey of 4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is NZQQWQKPXPYWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-15-6-7(9-2-5(13)3-12)10-4-11-8(6)14/h4-5,12-13H,2-3H2,1H3,(H2,9,10,11,14).
What are the key properties of 4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 215.21 g/mol, XLogP of -1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136976245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).