4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one

C16H22N6O3 — CID 153355787

IUPAC4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one
SMILESCc1nc(NC2CN(C(=O)C3CCCO3)C2)nc2c1NC(=O)CN2C
InChIInChI=1S/C16H22N6O3/c1-9-13-14(21(2)8-12(23)19-13)20-16(17-9)18-10-6-22(7-10)15(24)11-4-3-5-25-11/h10-11H,3-8H2,1-2H3,(H,19,23)(H,17,18,20)
InChIKeyYZPGURARHBMDNG-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.02
Rot. Bonds3

About 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one

4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one (PubChem CID 153355787) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one
PubChem CID153355787
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one
SMILESCc1nc(NC2CN(C(=O)C3CCCO3)C2)nc2c1NC(=O)CN2C
InChIInChI=1S/C16H22N6O3/c1-9-13-14(21(2)8-12(23)19-13)20-16(17-9)18-10-6-22(7-10)15(24)11-4-3-5-25-11/h10-11H,3-8H2,1-2H3,(H,19,23)(H,17,18,20)
InChIKeyYZPGURARHBMDNG-UHFFFAOYSA-N
XLogP-0.02
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one with MolForge

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Related Compounds

4,8-dimethyl-2-[[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 153355598
4,8-dimethyl-2-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]amino]-5,7-dihydropteridin-6-one;propane
CID 153355594
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-2-one
CID 103872787
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 104856276
(3,5-dimethylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 63863884
(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone
CID 124810653
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
3-methyl-4-(oxolane-2-carbonyl)piperazine-2,6-dione
CID 66063083
3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 104856137
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856
2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide
CID 167885804

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one?
The IUPAC name of 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one (CID 153355787) is 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one?
The canonical SMILES for 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one is Cc1nc(NC2CN(C(=O)C3CCCO3)C2)nc2c1NC(=O)CN2C.
What is the InChIKey of 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one?
The InChIKey is YZPGURARHBMDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-9-13-14(21(2)8-12(23)19-13)20-16(17-9)18-10-6-22(7-10)15(24)11-4-3-5-25-11/h10-11H,3-8H2,1-2H3,(H,19,23)(H,17,18,20).
What are the key properties of 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one?
4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one has a molecular weight of 346.39 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-[[1-(oxolane-2-carbonyl)azetidin-3-yl]amino]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 153355787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).