7-ethyl-5H-pyrimido[5,4-b]indol-4-amine

C12H12N4 — CID 153358506

IUPAC7-ethyl-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCc1ccc2c(c1)[nH]c1c(N)ncnc12
InChIInChI=1S/C12H12N4/c1-2-7-3-4-8-9(5-7)16-11-10(8)14-6-15-12(11)13/h3-6,16H,2H2,1H3,(H2,13,14,15)
InChIKeyFKBNDRWTIYVTHJ-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.26
Rot. Bonds1

About 7-ethyl-5H-pyrimido[5,4-b]indol-4-amine

7-ethyl-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 153358506) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 7-ethyl-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name7-ethyl-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID153358506
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name7-ethyl-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCc1ccc2c(c1)[nH]c1c(N)ncnc12
InChIInChI=1S/C12H12N4/c1-2-7-3-4-8-9(5-7)16-11-10(8)14-6-15-12(11)13/h3-6,16H,2H2,1H3,(H2,13,14,15)
InChIKeyFKBNDRWTIYVTHJ-UHFFFAOYSA-N
XLogP2.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 142467713
potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine
CID 153358363
2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 84670916
6-ethyl-1-methylindazol-3-amine
CID 67124935
3-ethyl-5H-naphtho[2,3-c]carbazole
CID 90260150
ethane;7-ethylisoquinolin-1-amine
CID 143545828
1,7-diethyl-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 170672723
2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine
CID 5222134
6-ethyl-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 118191475
ethane;6-ethyl-1,2-benzoxazol-3-amine
CID 143545769
5-(4-ethylphenyl)pyrimidin-4-amine
CID 82282209
ethane;5-ethyl-1,2-benzoxazol-3-amine
CID 143324107

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 7-ethyl-5H-pyrimido[5,4-b]indol-4-amine (CID 153358506) is 7-ethyl-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 7-ethyl-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 7-ethyl-5H-pyrimido[5,4-b]indol-4-amine is CCc1ccc2c(c1)[nH]c1c(N)ncnc12.
What is the InChIKey of 7-ethyl-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is FKBNDRWTIYVTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-7-3-4-8-9(5-7)16-11-10(8)14-6-15-12(11)13/h3-6,16H,2H2,1H3,(H2,13,14,15).
What are the key properties of 7-ethyl-5H-pyrimido[5,4-b]indol-4-amine?
7-ethyl-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 212.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 153358506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).