8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one

C14H22N4O — CID 123461562

IUPAC8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(C)nc2N1C(C)(C)C
InChIInChI=1S/C14H22N4O/c1-7-10-13(19)17(6)11-8-15-9(2)16-12(11)18(10)14(3,4)5/h8,10H,7H2,1-6H3
InChIKeyMYRNMBWOQDVJMI-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.14
Rot. Bonds1

About 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one

8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one (PubChem CID 123461562) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one.

Molecular Properties

Compound Name8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one
PubChem CID123461562
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(C)nc2N1C(C)(C)C
InChIInChI=1S/C14H22N4O/c1-7-10-13(19)17(6)11-8-15-9(2)16-12(11)18(10)14(3,4)5/h8,10H,7H2,1-6H3
InChIKeyMYRNMBWOQDVJMI-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 58405428
4-[[(7R)-8-tert-butyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-iodopiperidin-4-yl)-3-methoxybenzamide
CID 145208012
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475
(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one
CID 58405336
2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one
CID 58405293
tert-butyl N-(2-chloro-7-ethyl-5-methyl-6-oxo-7H-pteridin-8-yl)-N-methylcarbamate
CID 87301059
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101
(7R)-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-8-propan-2-yl-7H-pteridin-6-one
CID 58405382
(7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one
CID 138964355
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1-oxidopyridin-1-ium-4-yl)-7H-pteridin-6-one
CID 67253084
8-amino-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one;hydrochloride
CID 67260078
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylanilino)-7H-pteridin-6-one
CID 171081916

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one?
The IUPAC name of 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one (CID 123461562) is 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one.
What is the SMILES notation for 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one?
The canonical SMILES for 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(C)nc2N1C(C)(C)C.
What is the InChIKey of 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one?
The InChIKey is MYRNMBWOQDVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-7-10-13(19)17(6)11-8-15-9(2)16-12(11)18(10)14(3,4)5/h8,10H,7H2,1-6H3.
What are the key properties of 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one?
8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one has a molecular weight of 262.36 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one is sourced from PubChem (CID 123461562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).