6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one

C23H24N6O3 — CID 66888226

IUPAC6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one
SMILESCOCCCn1ccc2cc(-c3cnc(N)nc3)nc(Nc3cccc(OC)c3)c2c1=O
InChIInChI=1S/C23H24N6O3/c1-31-10-4-8-29-9-7-15-11-19(16-13-25-23(24)26-14-16)28-21(20(15)22(29)30)27-17-5-3-6-18(12-17)32-2/h3,5-7,9,11-14H,4,8,10H2,1-2H3,(H,27,28)(H2,24,25,26)
InChIKeyCPHUYLUKFWSXOV-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.22
Rot. Bonds8

About 6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one (PubChem CID 66888226) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one
PubChem CID66888226
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one
SMILESCOCCCn1ccc2cc(-c3cnc(N)nc3)nc(Nc3cccc(OC)c3)c2c1=O
InChIInChI=1S/C23H24N6O3/c1-31-10-4-8-29-9-7-15-11-19(16-13-25-23(24)26-14-16)28-21(20(15)22(29)30)27-17-5-3-6-18(12-17)32-2/h3,5-7,9,11-14H,4,8,10H2,1-2H3,(H,27,28)(H2,24,25,26)
InChIKeyCPHUYLUKFWSXOV-UHFFFAOYSA-N
XLogP3.22
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one
CID 58093997
6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
CID 58094188
6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one
CID 58166769
6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one
CID 58167419
6-(6-amino-3-pyridinyl)-8-(tert-butylamino)-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
CID 58166617
5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 69477027
2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide
CID 58167206
2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide
CID 58167020
4-N-(3-methoxyphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935328
2-iodo-N-(3-methoxyphenyl)-5-nitrosopyrimidin-4-amine
CID 89215880
2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
CID 3233678
5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide
CID 176780901

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one (CID 66888226) is 6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one is COCCCn1ccc2cc(-c3cnc(N)nc3)nc(Nc3cccc(OC)c3)c2c1=O.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one?
The InChIKey is CPHUYLUKFWSXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-31-10-4-8-29-9-7-15-11-19(16-13-25-23(24)26-14-16)28-21(20(15)22(29)30)27-17-5-3-6-18(12-17)32-2/h3,5-7,9,11-14H,4,8,10H2,1-2H3,(H,27,28)(H2,24,25,26).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one has a molecular weight of 432.48 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).