2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one

C15H15ClN4O — CID 58405293

IUPAC2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(Cl)nc2N1c1ccccc1
InChIInChI=1S/C15H15ClN4O/c1-3-11-14(21)19(2)12-9-17-15(16)18-13(12)20(11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
InChIKeyYVMDUWSFEVYTLR-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.02
Rot. Bonds2

About 2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one

2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one (PubChem CID 58405293) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one.

Molecular Properties

Compound Name2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one
PubChem CID58405293
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(Cl)nc2N1c1ccccc1
InChIInChI=1S/C15H15ClN4O/c1-3-11-14(21)19(2)12-9-17-15(16)18-13(12)20(11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
InChIKeyYVMDUWSFEVYTLR-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one
CID 58405320
(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one
CID 58405336
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-phenyl-7H-pteridin-6-one
CID 58405510
4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-phenyl-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid
CID 59989659
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475
(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one
CID 71602829
7-ethyl-2-(2-hexa-1,3-dien-2-yl-4-methyl-4H-pyridin-1-yl)-5-methyl-8-phenyl-7H-pteridin-6-one
CID 123855928
(7R)-2-chloro-7-ethyl-5-methyl-8-[1-(2-methylpropyl)piperidin-4-yl]-7H-pteridin-6-one
CID 174674584
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101
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-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one
CID 138964355
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(4-methylphenyl)-7H-pteridin-6-one
CID 163636551

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one?
The IUPAC name of 2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one (CID 58405293) is 2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one.
What is the SMILES notation for 2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one?
The canonical SMILES for 2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(Cl)nc2N1c1ccccc1.
What is the InChIKey of 2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one?
The InChIKey is YVMDUWSFEVYTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-3-11-14(21)19(2)12-9-17-15(16)18-13(12)20(11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3.
What are the key properties of 2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one?
2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one has a molecular weight of 302.77 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one is sourced from PubChem (CID 58405293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).