4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C14H15N7O2 — CID 123163195

IUPAC4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESC=Nc1cc(NC2CC2)n2ncc(Cc3[nH]c(=O)[nH]c3O)c2n1
InChIInChI=1S/C14H15N7O2/c1-15-10-5-11(17-8-2-3-8)21-12(19-10)7(6-16-21)4-9-13(22)20-14(23)18-9/h5-6,8,17,22H,1-4H2,(H2,18,20,23)
InChIKeyKCTNIJRXSUKNFK-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.95
Rot. Bonds5

About 4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 123163195) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID123163195
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESC=Nc1cc(NC2CC2)n2ncc(Cc3[nH]c(=O)[nH]c3O)c2n1
InChIInChI=1S/C14H15N7O2/c1-15-10-5-11(17-8-2-3-8)21-12(19-10)7(6-16-21)4-9-13(22)20-14(23)18-9/h5-6,8,17,22H,1-4H2,(H2,18,20,23)
InChIKeyKCTNIJRXSUKNFK-UHFFFAOYSA-N
XLogP0.95
TPSA123.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 123163195) is 4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is C=Nc1cc(NC2CC2)n2ncc(Cc3[nH]c(=O)[nH]c3O)c2n1.
What is the InChIKey of 4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is KCTNIJRXSUKNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-15-10-5-11(17-8-2-3-8)21-12(19-10)7(6-16-21)4-9-13(22)20-14(23)18-9/h5-6,8,17,22H,1-4H2,(H2,18,20,23).
What are the key properties of 4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 313.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 123163195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).