6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one

C18H22N6O3 — CID 58167419

IUPAC6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one
SMILESCC(C)(CO)Nc1nc(-c2cnc(N)nc2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C18H22N6O3/c1-18(2,10-26)23-15-14-11(3-4-24(5-6-25)16(14)27)7-13(22-15)12-8-20-17(19)21-9-12/h3-4,7-9,25-26H,5-6,10H2,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyAFYFLKKPNQZBBW-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.61
Rot. Bonds6

About 6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one (PubChem CID 58167419) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one
PubChem CID58167419
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one
SMILESCC(C)(CO)Nc1nc(-c2cnc(N)nc2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C18H22N6O3/c1-18(2,10-26)23-15-14-11(3-4-24(5-6-25)16(14)27)7-13(22-15)12-8-20-17(19)21-9-12/h3-4,7-9,25-26H,5-6,10H2,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyAFYFLKKPNQZBBW-UHFFFAOYSA-N
XLogP0.61
TPSA139.18 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one (CID 58167419) is 6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one is CC(C)(CO)Nc1nc(-c2cnc(N)nc2)cc2ccn(CCO)c(=O)c12.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one?
The InChIKey is AFYFLKKPNQZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-18(2,10-26)23-15-14-11(3-4-24(5-6-25)16(14)27)7-13(22-15)12-8-20-17(19)21-9-12/h3-4,7-9,25-26H,5-6,10H2,1-2H3,(H,22,23)(H2,19,20,21).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one has a molecular weight of 370.41 g/mol, XLogP of 0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-(2-hydroxyethyl)-8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).