7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine

C11H11N5 — CID 142467713

IUPAC7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESNCc1ccc2c(c1)[nH]c1c(N)ncnc12
InChIInChI=1S/C11H11N5/c12-4-6-1-2-7-8(3-6)16-10-9(7)14-5-15-11(10)13/h1-3,5,16H,4,12H2,(H2,13,14,15)
InChIKeyVFKSKSYJPKIEHN-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.15
Rot. Bonds1

About 7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine

7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 142467713) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID142467713
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESNCc1ccc2c(c1)[nH]c1c(N)ncnc12
InChIInChI=1S/C11H11N5/c12-4-6-1-2-7-8(3-6)16-10-9(7)14-5-15-11(10)13/h1-3,5,16H,4,12H2,(H2,13,14,15)
InChIKeyVFKSKSYJPKIEHN-UHFFFAOYSA-N
XLogP1.15
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 142467713) is 7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine is NCc1ccc2c(c1)[nH]c1c(N)ncnc12.
What is the InChIKey of 7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is VFKSKSYJPKIEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c12-4-6-1-2-7-8(3-6)16-10-9(7)14-5-15-11(10)13/h1-3,5,16H,4,12H2,(H2,13,14,15).
What are the key properties of 7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine?
7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 213.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 142467713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).