6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C25H27N7O2 — CID 174612052

IUPAC6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCc1cc(-c2cc3c(c(Nc4ccc(N5CCOCC5)c(C)c4)n2)C(C=O)NC=C3)nc(N)n1
InChIInChI=1S/C25H27N7O2/c1-15-11-18(3-4-22(15)32-7-9-34-10-8-32)29-24-23-17(5-6-27-21(23)14-33)13-20(30-24)19-12-16(2)28-25(26)31-19/h3-6,11-14,21,27H,7-10H2,1-2H3,(H,29,30)(H2,26,28,31)
InChIKeyYCLSGWBCFLGIQG-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.13
Rot. Bonds5

About 6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174612052) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174612052
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCc1cc(-c2cc3c(c(Nc4ccc(N5CCOCC5)c(C)c4)n2)C(C=O)NC=C3)nc(N)n1
InChIInChI=1S/C25H27N7O2/c1-15-11-18(3-4-22(15)32-7-9-34-10-8-32)29-24-23-17(5-6-27-21(23)14-33)13-20(30-24)19-12-16(2)28-25(26)31-19/h3-6,11-14,21,27H,7-10H2,1-2H3,(H,29,30)(H2,26,28,31)
InChIKeyYCLSGWBCFLGIQG-UHFFFAOYSA-N
XLogP3.13
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174612052) is 6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is Cc1cc(-c2cc3c(c(Nc4ccc(N5CCOCC5)c(C)c4)n2)C(C=O)NC=C3)nc(N)n1.
What is the InChIKey of 6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is YCLSGWBCFLGIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-15-11-18(3-4-22(15)32-7-9-34-10-8-32)29-24-23-17(5-6-27-21(23)14-33)13-20(30-24)19-12-16(2)28-25(26)31-19/h3-6,11-14,21,27H,7-10H2,1-2H3,(H,29,30)(H2,26,28,31).
What are the key properties of 6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 457.54 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174612052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).