4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C18H22N6 — CID 133407866

IUPAC4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCN(CCNc1ncnc2nc(N)ccc12)c1cccc(C)c1
InChIInChI=1S/C18H22N6/c1-3-24(14-6-4-5-13(2)11-14)10-9-20-17-15-7-8-16(19)23-18(15)22-12-21-17/h4-8,11-12H,3,9-10H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyAUQJSLXEJRAPSR-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.85
Rot. Bonds6

About 4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133407866) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133407866
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCN(CCNc1ncnc2nc(N)ccc12)c1cccc(C)c1
InChIInChI=1S/C18H22N6/c1-3-24(14-6-4-5-13(2)11-14)10-9-20-17-15-7-8-16(19)23-18(15)22-12-21-17/h4-8,11-12H,3,9-10H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyAUQJSLXEJRAPSR-UHFFFAOYSA-N
XLogP2.85
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 4843023
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 72884771
4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409618
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
4-N-butyl-4-N-ethylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407373
3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133409598
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 3336142
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133407866) is 4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is CCN(CCNc1ncnc2nc(N)ccc12)c1cccc(C)c1.
What is the InChIKey of 4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is AUQJSLXEJRAPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-3-24(14-6-4-5-13(2)11-14)10-9-20-17-15-7-8-16(19)23-18(15)22-12-21-17/h4-8,11-12H,3,9-10H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 322.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133407866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).