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

C10H6F2N4 — CID 156876979

IUPAC6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine
SMILESNc1ncnc2[nH]c3cc(F)c(F)cc3c12
InChIInChI=1S/C10H6F2N4/c11-5-1-4-7(2-6(5)12)16-10-8(4)9(13)14-3-15-10/h1-3H,(H3,13,14,15,16)
InChIKeyNHHASAULXBPYMV-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.97
Rot. Bonds

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

6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 156876979) has the molecular formula C10H6F2N4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID156876979
Molecular FormulaC10H6F2N4
Molecular Weight220.18 g/mol
Exact Mass220.06
IUPAC Name6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine
SMILESNc1ncnc2[nH]c3cc(F)c(F)cc3c12
InChIInChI=1S/C10H6F2N4/c11-5-1-4-7(2-6(5)12)16-10-8(4)9(13)14-3-15-10/h1-3H,(H3,13,14,15,16)
InChIKeyNHHASAULXBPYMV-UHFFFAOYSA-N
XLogP1.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of 6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine (CID 156876979) is 6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine is Nc1ncnc2[nH]c3cc(F)c(F)cc3c12.
What is the InChIKey of 6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is NHHASAULXBPYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N4/c11-5-1-4-7(2-6(5)12)16-10-8(4)9(13)14-3-15-10/h1-3H,(H3,13,14,15,16).
What are the key properties of 6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine?
6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 220.18 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 156876979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).