6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one

C19H24N6O — CID 58166769

IUPAC6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one
SMILESCCCn1ccc2cc(-c3cnc(N)nc3)nc(NC(C)(C)C)c2c1=O
InChIInChI=1S/C19H24N6O/c1-5-7-25-8-6-12-9-14(13-10-21-18(20)22-11-13)23-16(15(12)17(25)26)24-19(2,3)4/h6,8-11H,5,7H2,1-4H3,(H,23,24)(H2,20,21,22)
InChIKeySWTQAJDHWLSPBU-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.06
Rot. Bonds4

About 6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one (PubChem CID 58166769) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one
PubChem CID58166769
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one
SMILESCCCn1ccc2cc(-c3cnc(N)nc3)nc(NC(C)(C)C)c2c1=O
InChIInChI=1S/C19H24N6O/c1-5-7-25-8-6-12-9-14(13-10-21-18(20)22-11-13)23-16(15(12)17(25)26)24-19(2,3)4/h6,8-11H,5,7H2,1-4H3,(H,23,24)(H2,20,21,22)
InChIKeySWTQAJDHWLSPBU-UHFFFAOYSA-N
XLogP3.06
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide
CID 58167020
8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
CID 58167056
6-(2-aminopyrimidin-5-yl)-8-(3-methoxyanilino)-2-(3-methoxypropyl)-2,7-naphthyridin-1-one
CID 66888226
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-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 58166594
2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide
CID 58167206
6-(2-aminopyrimidin-5-yl)-2-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-[(1-methylcyclobutyl)amino]-2,7-naphthyridin-1-one
CID 58167409
8-amino-6-(2-aminopyrimidin-5-yl)-2,7-diethylisoquinolin-1-one
CID 123586103
8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 58167093

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one (CID 58166769) is 6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one is CCCn1ccc2cc(-c3cnc(N)nc3)nc(NC(C)(C)C)c2c1=O.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one?
The InChIKey is SWTQAJDHWLSPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-5-7-25-8-6-12-9-14(13-10-21-18(20)22-11-13)23-16(15(12)17(25)26)24-19(2,3)4/h6,8-11H,5,7H2,1-4H3,(H,23,24)(H2,20,21,22).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one has a molecular weight of 352.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-2-propyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).