sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane

C11H17N4NaO — CID 153355566

IUPACsodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane
SMILESCCC.Cc1n[c-]nc2c1NC(=O)CN2C.[Na+]
InChIInChI=1S/C8H9N4O.C3H8.Na/c1-5-7-8(10-4-9-5)12(2)3-6(13)11-7;1-3-2;/h3H2,1-2H3,(H,11,13);3H2,1-2H3;/q-1;;+1
InChIKeyDYHDFGJKOKIEDD-UHFFFAOYSA-N
MW244.27 g/mol
LogP-1.61
Rot. Bonds

About sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane

sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane (PubChem CID 153355566) has the molecular formula C11H17N4NaO and a molecular weight of 244.27 g/mol. Its IUPAC name is sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane.

Molecular Properties

Compound Namesodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane
PubChem CID153355566
Molecular FormulaC11H17N4NaO
Molecular Weight244.27 g/mol
Exact Mass244.13
IUPAC Namesodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane
SMILESCCC.Cc1n[c-]nc2c1NC(=O)CN2C.[Na+]
InChIInChI=1S/C8H9N4O.C3H8.Na/c1-5-7-8(10-4-9-5)12(2)3-6(13)11-7;1-3-2;/h3H2,1-2H3,(H,11,13);3H2,1-2H3;/q-1;;+1
InChIKeyDYHDFGJKOKIEDD-UHFFFAOYSA-N
XLogP-1.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422862
6-Amino-2-methyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135406383
5-(4-(Aminomethyl)-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422761
6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135444495
6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135450418
2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135481922
5,6-dimethyl-3-piperidin-1-yl-1H-pyrazin-2-one
CID 91052645
Ethane;2-methyl-7-(4-methylpiperazin-1-yl)-3,5-dihydropteridine-4,6-dione
CID 144485330
4,5,8-trimethyl-6,7-dihydro-3H-pteridin-2-one
CID 133666170
2-Methyl-7-(4-methylpiperazin-1-yl)-3,5-dihydropteridine-4,6-dione
CID 144485331

Frequently Asked Questions

What is the IUPAC name of sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane?
The IUPAC name of sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane (CID 153355566) is sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane.
What is the SMILES notation for sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane?
The canonical SMILES for sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane is CCC.Cc1n[c-]nc2c1NC(=O)CN2C.[Na+].
What is the InChIKey of sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane?
The InChIKey is DYHDFGJKOKIEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N4O.C3H8.Na/c1-5-7-8(10-4-9-5)12(2)3-6(13)11-7;1-3-2;/h3H2,1-2H3,(H,11,13);3H2,1-2H3;/q-1;;+1.
What are the key properties of sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane?
sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane has a molecular weight of 244.27 g/mol, XLogP of -1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4,8-dimethyl-5,7-dihydro-2H-pteridin-2-id-6-one;propane is sourced from PubChem (CID 153355566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).