N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide

C12H15N5O3 — CID 102315640

IUPACN-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide
SMILESCOc1cnc2ncn(NC(=O)C(C)(C)C)c(=O)c2n1
InChIInChI=1S/C12H15N5O3/c1-12(2,3)11(19)16-17-6-14-9-8(10(17)18)15-7(20-4)5-13-9/h5-6H,1-4H3,(H,16,19)
InChIKeyOZZWUGUSJIHZAI-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.31
Rot. Bonds2

About N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide

N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide (PubChem CID 102315640) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide
PubChem CID102315640
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide
SMILESCOc1cnc2ncn(NC(=O)C(C)(C)C)c(=O)c2n1
InChIInChI=1S/C12H15N5O3/c1-12(2,3)11(19)16-17-6-14-9-8(10(17)18)15-7(20-4)5-13-9/h5-6H,1-4H3,(H,16,19)
InChIKeyOZZWUGUSJIHZAI-UHFFFAOYSA-N
XLogP0.31
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide (CID 102315640) is N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide is COc1cnc2ncn(NC(=O)C(C)(C)C)c(=O)c2n1.
What is the InChIKey of N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide?
The InChIKey is OZZWUGUSJIHZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-12(2,3)11(19)16-17-6-14-9-8(10(17)18)15-7(20-4)5-13-9/h5-6H,1-4H3,(H,16,19).
What are the key properties of N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide?
N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide has a molecular weight of 277.28 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 102315640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).