ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate

C22H25N5O2 — CID 155666121

IUPACethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCNc2c3c(nc4ccccc24)CCCC3)nc1
InChIInChI=1S/C22H25N5O2/c1-2-29-21(28)15-13-25-22(26-14-15)24-12-11-23-20-16-7-3-5-9-18(16)27-19-10-6-4-8-17(19)20/h3,5,7,9,13-14H,2,4,6,8,10-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeySBHRTAGPEGNYDH-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.60
Rot. Bonds7

About ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate

ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate (PubChem CID 155666121) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate
PubChem CID155666121
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Nameethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCNc2c3c(nc4ccccc24)CCCC3)nc1
InChIInChI=1S/C22H25N5O2/c1-2-29-21(28)15-13-25-22(26-14-15)24-12-11-23-20-16-7-3-5-9-18(16)27-19-10-6-4-8-17(19)20/h3,5,7,9,13-14H,2,4,6,8,10-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeySBHRTAGPEGNYDH-UHFFFAOYSA-N
XLogP3.60
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.60
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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Related Compounds

4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine
CID 141278271
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
N-(3-ethoxypropyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432404
N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
CID 10959176
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
ethyl (E)-3-hydroxy-2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyliminomethyl]but-2-enoate
CID 170458897

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate (CID 155666121) is ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NCCNc2c3c(nc4ccccc24)CCCC3)nc1.
What is the InChIKey of ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate?
The InChIKey is SBHRTAGPEGNYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-29-21(28)15-13-25-22(26-14-15)24-12-11-23-20-16-7-3-5-9-18(16)27-19-10-6-4-8-17(19)20/h3,5,7,9,13-14H,2,4,6,8,10-12H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate?
ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate has a molecular weight of 391.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 155666121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).