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

C24H25N7O — CID 154632933

IUPAC3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one
SMILESCn1c(NCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncn2)cc1=O
InChIInChI=1S/C24H25N7O/c1-31-22(32)14-21(20-10-11-25-15-28-20)30-24(31)27-13-12-26-23-16-6-2-4-8-18(16)29-19-9-5-3-7-17(19)23/h2,4,6,8,10-11,14-15H,3,5,7,9,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKeyWHMFCAQKMMSGAG-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.19
Rot. Bonds6

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

3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one (PubChem CID 154632933) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one
PubChem CID154632933
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one
SMILESCn1c(NCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncn2)cc1=O
InChIInChI=1S/C24H25N7O/c1-31-22(32)14-21(20-10-11-25-15-28-20)30-24(31)27-13-12-26-23-16-6-2-4-8-18(16)29-19-9-5-3-7-17(19)23/h2,4,6,8,10-11,14-15H,3,5,7,9,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKeyWHMFCAQKMMSGAG-UHFFFAOYSA-N
XLogP3.19
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one (CID 154632933) is 3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one is Cn1c(NCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccncn2)cc1=O.
What is the InChIKey of 3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one?
The InChIKey is WHMFCAQKMMSGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-31-22(32)14-21(20-10-11-25-15-28-20)30-24(31)27-13-12-26-23-16-6-2-4-8-18(16)29-19-9-5-3-7-17(19)23/h2,4,6,8,10-11,14-15H,3,5,7,9,12-13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one?
3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one has a molecular weight of 427.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyrimidin-4-yl-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidin-4-one is sourced from PubChem (CID 154632933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).