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

C11H12ClN5O2 — CID 102315638

IUPACN-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nn1cnc2ncc(Cl)nc2c1=O
InChIInChI=1S/C11H12ClN5O2/c1-11(2,3)10(19)16-17-5-14-8-7(9(17)18)15-6(12)4-13-8/h4-5H,1-3H3,(H,16,19)
InChIKeyLYBXPRVPGYODMX-UHFFFAOYSA-N
MW281.70 g/mol
LogP0.96
Rot. Bonds1

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

N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide (PubChem CID 102315638) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide
PubChem CID102315638
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC NameN-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nn1cnc2ncc(Cl)nc2c1=O
InChIInChI=1S/C11H12ClN5O2/c1-11(2,3)10(19)16-17-5-14-8-7(9(17)18)15-6(12)4-13-8/h4-5H,1-3H3,(H,16,19)
InChIKeyLYBXPRVPGYODMX-UHFFFAOYSA-N
XLogP0.96
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide
CID 102315640
6-chloro-3-methylpteridin-4-one
CID 91621946
N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide
CID 107595750
3-methoxy-6-methylpteridin-4-one
CID 595486
N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2,2-dimethylpropanamide
CID 90246038
N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 59829116
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 59165851
N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide
CID 104964213
N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide
CID 153370853
4-chloro-3,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene
CID 102027915
2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide
CID 114917844

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide (CID 102315638) is N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nn1cnc2ncc(Cl)nc2c1=O.
What is the InChIKey of N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide?
The InChIKey is LYBXPRVPGYODMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-11(2,3)10(19)16-17-5-14-8-7(9(17)18)15-6(12)4-13-8/h4-5H,1-3H3,(H,16,19).
What are the key properties of N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide?
N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide has a molecular weight of 281.70 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 102315638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).