3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one

C29H34N6O — CID 154632952

IUPAC3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one
SMILESCn1c(NCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C29H34N6O/c1-35-27(36)20-26(21-14-18-30-19-15-21)34-29(35)32-17-9-3-2-8-16-31-28-22-10-4-6-12-24(22)33-25-13-7-5-11-23(25)28/h4,6,10,12,14-15,18-20H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)
InChIKeyMRTJLCAXJOFAEM-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.35
Rot. Bonds10

About 3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one

3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one (PubChem CID 154632952) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one
PubChem CID154632952
Molecular FormulaC29H34N6O
Molecular Weight482.63 g/mol
Exact Mass482.28
IUPAC Name3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one
SMILESCn1c(NCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C29H34N6O/c1-35-27(36)20-26(21-14-18-30-19-15-21)34-29(35)32-17-9-3-2-8-16-31-28-22-10-4-6-12-24(22)33-25-13-7-5-11-23(25)28/h4,6,10,12,14-15,18-20H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)
InChIKeyMRTJLCAXJOFAEM-UHFFFAOYSA-N
XLogP5.35
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one (CID 154632952) is 3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one is Cn1c(NCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one?
The InChIKey is MRTJLCAXJOFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O/c1-35-27(36)20-26(21-14-18-30-19-15-21)34-29(35)32-17-9-3-2-8-16-31-28-22-10-4-6-12-24(22)33-25-13-7-5-11-23(25)28/h4,6,10,12,14-15,18-20H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34).
What are the key properties of 3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one?
3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one has a molecular weight of 482.63 g/mol, XLogP of 5.35, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyridin-4-yl-2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]pyrimidin-4-one is sourced from PubChem (CID 154632952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).