6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine

C10H12N4 — CID 3841720

IUPAC6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
SMILESNc1ncnc2[nH]c3c(c12)CCCC3
InChIInChI=1S/C10H12N4/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H3,11,12,13,14)
InChIKeyGKKITIFSWKFEKP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.42
Rot. Bonds

About 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine

6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine (PubChem CID 3841720) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
PubChem CID3841720
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
SMILESNc1ncnc2[nH]c3c(c12)CCCC3
InChIInChI=1S/C10H12N4/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H3,11,12,13,14)
InChIKeyGKKITIFSWKFEKP-UHFFFAOYSA-N
XLogP1.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine (CID 3841720) is 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine is Nc1ncnc2[nH]c3c(c12)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is GKKITIFSWKFEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H3,11,12,13,14).
What are the key properties of 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 188.23 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 3841720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).