6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one

C25H27N7O2 — CID 58094184

IUPAC6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESCc1cc(Nc2nc(-c3cnc(N)nc3)cc3cc[nH]c(=O)c23)ccc1OCCN1CCCC1
InChIInChI=1S/C25H27N7O2/c1-16-12-19(4-5-21(16)34-11-10-32-8-2-3-9-32)30-23-22-17(6-7-27-24(22)33)13-20(31-23)18-14-28-25(26)29-15-18/h4-7,12-15H,2-3,8-11H2,1H3,(H,27,33)(H,30,31)(H2,26,28,29)
InChIKeyCMNVIXWKCOVRPD-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.49
Rot. Bonds7

About 6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58094184) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58094184
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESCc1cc(Nc2nc(-c3cnc(N)nc3)cc3cc[nH]c(=O)c23)ccc1OCCN1CCCC1
InChIInChI=1S/C25H27N7O2/c1-16-12-19(4-5-21(16)34-11-10-32-8-2-3-9-32)30-23-22-17(6-7-27-24(22)33)13-20(31-23)18-14-28-25(26)29-15-18/h4-7,12-15H,2-3,8-11H2,1H3,(H,27,33)(H,30,31)(H2,26,28,29)
InChIKeyCMNVIXWKCOVRPD-UHFFFAOYSA-N
XLogP3.49
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094116
6-(2-aminopyrimidin-5-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094223
6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one
CID 58093697
6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 66888514
6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one
CID 58167367
1-[2-[4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid
CID 58094064
6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094165
3-[4-[4-[[3-(2-aminopyrimidin-4-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanenitrile
CID 58167296
6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 66888594
6-(2-methylpyrimidin-5-yl)-8-[4-[2-(3-oxopiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one
CID 58167236
6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 58166594
6-(2-ethoxypyrimidin-5-yl)-8-[3-methyl-4-[(2S)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 58094492

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one (CID 58094184) is 6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one is Cc1cc(Nc2nc(-c3cnc(N)nc3)cc3cc[nH]c(=O)c23)ccc1OCCN1CCCC1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is CMNVIXWKCOVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-16-12-19(4-5-21(16)34-11-10-32-8-2-3-9-32)30-23-22-17(6-7-27-24(22)33)13-20(31-23)18-14-28-25(26)29-15-18/h4-7,12-15H,2-3,8-11H2,1H3,(H,27,33)(H,30,31)(H2,26,28,29).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 457.54 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).