2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one

C19H16N6O2 — CID 72712979

IUPAC2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)cnc3cnc(Nc4cccc(N)c4)nc32)cc1
InChIInChI=1S/C19H16N6O2/c1-27-15-7-5-14(6-8-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-3-12(20)9-13/h2-11H,20H2,1H3,(H,22,23,24)
InChIKeyFZEFYHUOKWGELA-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.51
Rot. Bonds4

About 2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one

2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one (PubChem CID 72712979) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one
PubChem CID72712979
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)cnc3cnc(Nc4cccc(N)c4)nc32)cc1
InChIInChI=1S/C19H16N6O2/c1-27-15-7-5-14(6-8-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-3-12(20)9-13/h2-11H,20H2,1H3,(H,22,23,24)
InChIKeyFZEFYHUOKWGELA-UHFFFAOYSA-N
XLogP2.51
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Spebrutinib
CID 59174488
Tirabrutinib
CID 54755438
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 58
CID 5330244
N-(3-(2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)acrylamide
CID 72201501
4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 156599543
2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
2,4-Disubstituted Pyrimidine 2g
CID 5329420
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30
CID 5330216
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57
CID 5330243

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one (CID 72712979) is 2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one is COc1ccc(-n2c(=O)cnc3cnc(Nc4cccc(N)c4)nc32)cc1.
What is the InChIKey of 2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is FZEFYHUOKWGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-27-15-7-5-14(6-8-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-3-12(20)9-13/h2-11H,20H2,1H3,(H,22,23,24).
What are the key properties of 2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one?
2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 360.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoanilino)-8-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 72712979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).