N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine

C18H14F2N4O2 — CID 139962098

IUPACN-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1cc2[nH]c3c(Nc4c(F)cccc4F)ncnc3c2cc1OC
InChIInChI=1S/C18H14F2N4O2/c1-25-13-6-9-12(7-14(13)26-2)23-17-15(9)21-8-22-18(17)24-16-10(19)4-3-5-11(16)20/h3-8,23H,1-2H3,(H,21,22,24)
InChIKeyPRVLTTAWYCZDKE-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.15
Rot. Bonds4

About N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine

N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 139962098) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID139962098
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC NameN-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1cc2[nH]c3c(Nc4c(F)cccc4F)ncnc3c2cc1OC
InChIInChI=1S/C18H14F2N4O2/c1-25-13-6-9-12(7-14(13)26-2)23-17-15(9)21-8-22-18(17)24-16-10(19)4-3-5-11(16)20/h3-8,23H,1-2H3,(H,21,22,24)
InChIKeyPRVLTTAWYCZDKE-UHFFFAOYSA-N
XLogP4.15
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 3731179
N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 139962103
[4-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)oxy]-3-fluoroanilino]-(2-fluorophenyl)methanol
CID 123678313
N-(2,6-difluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430319
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 2009604
7,8-dimethoxy-4-pyrrolidin-1-yl-5H-pyrimido[5,4-b]indole
CID 942038
4-[4-[3-(fluoromethyl)phenyl]piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole
CID 70992721
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866559
N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 4973329
7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole
CID 4293062
8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 939389
N-(5-methoxy-2-methyl-4-nitrophenyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 3791951

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine (CID 139962098) is N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine is COc1cc2[nH]c3c(Nc4c(F)cccc4F)ncnc3c2cc1OC.
What is the InChIKey of N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is PRVLTTAWYCZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-25-13-6-9-12(7-14(13)26-2)23-17-15(9)21-8-22-18(17)24-16-10(19)4-3-5-11(16)20/h3-8,23H,1-2H3,(H,21,22,24).
What are the key properties of N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine?
N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 356.33 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 139962098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).