2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one

C22H21N5O — CID 3232777

IUPAC2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccccc3)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C22H21N5O/c1-2-23-22-24-15-18-20(26-22)27(14-13-16-9-5-3-6-10-16)21(28)19(25-18)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,23,24,26)
InChIKeyOSKSYBWLLQCCGL-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.53
Rot. Bonds6

About 2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one

2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one (PubChem CID 3232777) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one
PubChem CID3232777
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccccc3)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C22H21N5O/c1-2-23-22-24-15-18-20(26-22)27(14-13-16-9-5-3-6-10-16)21(28)19(25-18)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,23,24,26)
InChIKeyOSKSYBWLLQCCGL-UHFFFAOYSA-N
XLogP3.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
4-(4-Fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-YL)-2-piperidin-4-YL-1,2-dihydro-3H-pyrazol-3-one
CID 5326958
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39
CID 5327886
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
Pyrido[2,3-d]pyrimidin-7-one 11
CID 5330338
Pyrido[2,3-d]pyrimidin-7-one 13
CID 5330340
Pyrido[2,3-d]pyrimidin-7-one 25
CID 5330352
(3s)-1-{(2s)-2-Cyclohexyl-2-[(N-Methyl-L-Alanyl)amino]acetyl}-3-Methyl-N-(2-Pyrimidin-2-Ylphenyl)-L-Prolinamide
CID 42609700
3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinolizin-4-one
CID 118627731

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one (CID 3232777) is 2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one is CCNc1ncc2nc(-c3ccccc3)c(=O)n(CCc3ccccc3)c2n1.
What is the InChIKey of 2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one?
The InChIKey is OSKSYBWLLQCCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-23-22-24-15-18-20(26-22)27(14-13-16-9-5-3-6-10-16)21(28)19(25-18)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,23,24,26).
What are the key properties of 2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one?
2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one has a molecular weight of 371.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3232777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).