2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one

C9H12N4O2 — CID 170239987

IUPAC2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one
SMILESCC(C)N1c2nccnc2C(=O)NC1O
InChIInChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-3-4-11-7)8(14)12-9(13)15/h3-5,9,15H,1-2H3,(H,12,14)
InChIKeyKISKPTVSDFEWGJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.29
Rot. Bonds1

About 2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one

2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one (PubChem CID 170239987) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one.

Molecular Properties

Compound Name2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one
PubChem CID170239987
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one
SMILESCC(C)N1c2nccnc2C(=O)NC1O
InChIInChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-3-4-11-7)8(14)12-9(13)15/h3-5,9,15H,1-2H3,(H,12,14)
InChIKeyKISKPTVSDFEWGJ-UHFFFAOYSA-N
XLogP-0.29
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(methylamino)-2,3-dihydropteridin-4-one
CID 141496600
2-amino-1,2-bis(hydroxymethyl)-3H-pteridin-4-one
CID 54150985
6-(difluoromethyl)-3-hydroxy-2-methyl-3,4-dihydro-1,2,4-triazin-5-one
CID 155363626
4-(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyrrolo[3,4-d]imidazol-6-one
CID 139500153
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 106837230
3-hydroxy-5,6-dimethyl-4-propan-2-yl-1,3-dihydropyrazin-2-one
CID 163611020
2-hydroxy-3,5-dimethyl-1,2-dihydropyrimidin-6-one
CID 22117647
2-methyl-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 174276377
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
2-methyl-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 131744660
4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 163973220
2-hydroxy-3-propan-2-yl-1,2-dihydroimidazole-5-carboxamide
CID 162487765

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one?
The IUPAC name of 2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one (CID 170239987) is 2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one.
What is the SMILES notation for 2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one?
The canonical SMILES for 2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one is CC(C)N1c2nccnc2C(=O)NC1O.
What is the InChIKey of 2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one?
The InChIKey is KISKPTVSDFEWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-3-4-11-7)8(14)12-9(13)15/h3-5,9,15H,1-2H3,(H,12,14).
What are the key properties of 2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one?
2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one has a molecular weight of 208.22 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-propan-2-yl-2,3-dihydropteridin-4-one is sourced from PubChem (CID 170239987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).