8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C19H19N7O2 — CID 58379535

IUPAC8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21
InChIInChI=1S/C19H19N7O2/c1-25-15-10-21-14-3-2-13(11-8-22-18(20)23-9-11)24-16(14)17(15)26(19(25)27)12-4-6-28-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H2,20,22,23)
InChIKeyCJZBLYPPXFPDIA-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.67
Rot. Bonds2

About 8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379535) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379535
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21
InChIInChI=1S/C19H19N7O2/c1-25-15-10-21-14-3-2-13(11-8-22-18(20)23-9-11)24-16(14)17(15)26(19(25)27)12-4-6-28-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H2,20,22,23)
InChIKeyCJZBLYPPXFPDIA-UHFFFAOYSA-N
XLogP1.67
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 58379507
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CID 130363082
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CID 130363172
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CID 130363443
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CID 132209468
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CID 132209957
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CID 146275562

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379535) is 8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21.
What is the InChIKey of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is CJZBLYPPXFPDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-25-15-10-21-14-3-2-13(11-8-22-18(20)23-9-11)24-16(14)17(15)26(19(25)27)12-4-6-28-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H2,20,22,23).
What are the key properties of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 377.41 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).