6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one

C17H20N6O — CID 58166594

IUPAC6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one
SMILESCCC(C)(C)Nc1nc(-c2cnc(N)nc2)cc2cc[nH]c(=O)c12
InChIInChI=1S/C17H20N6O/c1-4-17(2,3)23-14-13-10(5-6-19-15(13)24)7-12(22-14)11-8-20-16(18)21-9-11/h5-9H,4H2,1-3H3,(H,19,24)(H,22,23)(H2,18,20,21)
InChIKeyJKTGWHQRKBELOB-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.56
Rot. Bonds4

About 6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one (PubChem CID 58166594) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one
PubChem CID58166594
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one
SMILESCCC(C)(C)Nc1nc(-c2cnc(N)nc2)cc2cc[nH]c(=O)c12
InChIInChI=1S/C17H20N6O/c1-4-17(2,3)23-14-13-10(5-6-19-15(13)24)7-12(22-14)11-8-20-16(18)21-9-11/h5-9H,4H2,1-3H3,(H,19,24)(H,22,23)(H2,18,20,21)
InChIKeyJKTGWHQRKBELOB-UHFFFAOYSA-N
XLogP2.56
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one (CID 58166594) is 6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one is CCC(C)(C)Nc1nc(-c2cnc(N)nc2)cc2cc[nH]c(=O)c12.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one?
The InChIKey is JKTGWHQRKBELOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-4-17(2,3)23-14-13-10(5-6-19-15(13)24)7-12(22-14)11-8-20-16(18)21-9-11/h5-9H,4H2,1-3H3,(H,19,24)(H,22,23)(H2,18,20,21).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one has a molecular weight of 324.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).