8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

C23H28N6O3 — CID 58166789

IUPAC8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESCC(C)(C)Nc1nc(Nc2cc(C3=CCCCO3)ncn2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C23H28N6O3/c1-23(2,3)28-21-20-15(7-8-29(9-10-30)22(20)31)12-19(27-21)26-18-13-16(24-14-25-18)17-6-4-5-11-32-17/h6-8,12-14,30H,4-5,9-11H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyXGXWOZRKBXPHHW-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.28
Rot. Bonds6

About 8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (PubChem CID 58166789) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
PubChem CID58166789
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESCC(C)(C)Nc1nc(Nc2cc(C3=CCCCO3)ncn2)cc2ccn(CCO)c(=O)c12
InChIInChI=1S/C23H28N6O3/c1-23(2,3)28-21-20-15(7-8-29(9-10-30)22(20)31)12-19(27-21)26-18-13-16(24-14-25-18)17-6-4-5-11-32-17/h6-8,12-14,30H,4-5,9-11H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyXGXWOZRKBXPHHW-UHFFFAOYSA-N
XLogP3.28
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (CID 58166789) is 8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is CC(C)(C)Nc1nc(Nc2cc(C3=CCCCO3)ncn2)cc2ccn(CCO)c(=O)c12.
What is the InChIKey of 8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The InChIKey is XGXWOZRKBXPHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-23(2,3)28-21-20-15(7-8-29(9-10-30)22(20)31)12-19(27-21)26-18-13-16(24-14-25-18)17-6-4-5-11-32-17/h6-8,12-14,30H,4-5,9-11H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one has a molecular weight of 436.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tert-butylamino)-6-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).