9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine

C21H23N5 — CID 154451400

IUPAC9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine
SMILESCNCc1cc(C)c(-n2c3ccccc3c3c(N)nc(C)nc32)c(C)c1
InChIInChI=1S/C21H23N5/c1-12-9-15(11-23-4)10-13(2)19(12)26-17-8-6-5-7-16(17)18-20(22)24-14(3)25-21(18)26/h5-10,23H,11H2,1-4H3,(H2,22,24,25)
InChIKeyCENYDFYFVNGJMH-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.80
Rot. Bonds3

About 9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine

9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine (PubChem CID 154451400) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine
PubChem CID154451400
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine
SMILESCNCc1cc(C)c(-n2c3ccccc3c3c(N)nc(C)nc32)c(C)c1
InChIInChI=1S/C21H23N5/c1-12-9-15(11-23-4)10-13(2)19(12)26-17-8-6-5-7-16(17)18-20(22)24-14(3)25-21(18)26/h5-10,23H,11H2,1-4H3,(H2,22,24,25)
InChIKeyCENYDFYFVNGJMH-UHFFFAOYSA-N
XLogP3.80
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminopropyl)-2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-3-amine
CID 154449797
N-(cyclopropylmethyl)-2-methyl-N-propyl-9-(2,4,6-trimethylphenyl)pyrimido[4,5-b]indol-4-amine
CID 139821497
7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43159203
9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole
CID 138393255
4-(2,6-dimethylphenyl)-2-methylfuro[2,3-b]indol-1-amine
CID 130322187
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
CID 118518202
N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide
CID 15491214
2-methyl-N-[(2-methylphenyl)methyl]-9-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine
CID 70129926
1-[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43276668
N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
CID 105408323
1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone
CID 135059905
2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine
CID 127049344

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine?
The IUPAC name of 9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine (CID 154451400) is 9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine is CNCc1cc(C)c(-n2c3ccccc3c3c(N)nc(C)nc32)c(C)c1.
What is the InChIKey of 9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine?
The InChIKey is CENYDFYFVNGJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-12-9-15(11-23-4)10-13(2)19(12)26-17-8-6-5-7-16(17)18-20(22)24-14(3)25-21(18)26/h5-10,23H,11H2,1-4H3,(H2,22,24,25).
What are the key properties of 9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine?
9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine has a molecular weight of 345.45 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-dimethyl-4-(methylaminomethyl)phenyl]-2-methylpyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 154451400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).