2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one

C19H17N5O2S — CID 3232884

IUPAC2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1cccc(Nc2ncc3nc(C)c(=O)n(Cc4cccs4)c3n2)c1
InChIInChI=1S/C19H17N5O2S/c1-12-18(25)24(11-15-7-4-8-27-15)17-16(21-12)10-20-19(23-17)22-13-5-3-6-14(9-13)26-2/h3-10H,11H2,1-2H3,(H,20,22,23)
InChIKeyFPFFTEAVCWFSKS-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.36
Rot. Bonds5

About 2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one

2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3232884) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3232884
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1cccc(Nc2ncc3nc(C)c(=O)n(Cc4cccs4)c3n2)c1
InChIInChI=1S/C19H17N5O2S/c1-12-18(25)24(11-15-7-4-8-27-15)17-16(21-12)10-20-19(23-17)22-13-5-3-6-14(9-13)26-2/h3-10H,11H2,1-2H3,(H,20,22,23)
InChIKeyFPFFTEAVCWFSKS-UHFFFAOYSA-N
XLogP3.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 132089019
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CID 132089053
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CID 132089210
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CID 132089351
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CID 132089499
CID 132089499

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3232884) is 2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one is COc1cccc(Nc2ncc3nc(C)c(=O)n(Cc4cccs4)c3n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is FPFFTEAVCWFSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-12-18(25)24(11-15-7-4-8-27-15)17-16(21-12)10-20-19(23-17)22-13-5-3-6-14(9-13)26-2/h3-10H,11H2,1-2H3,(H,20,22,23).
What are the key properties of 2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 379.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3232884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).