N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine

C12H7Cl2FN4 — CID 175424569

IUPACN-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine
SMILESFc1ccc(Nc2nc(Cl)ncc2Cl)c2[nH]ccc12
InChIInChI=1S/C12H7Cl2FN4/c13-7-5-17-12(14)19-11(7)18-9-2-1-8(15)6-3-4-16-10(6)9/h1-5,16H,(H,17,18,19)
InChIKeyBRJUCYPRYJDLQP-UHFFFAOYSA-N
MW297.12 g/mol
LogP4.15
Rot. Bonds2

About N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine

N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine (PubChem CID 175424569) has the molecular formula C12H7Cl2FN4 and a molecular weight of 297.12 g/mol. Its IUPAC name is N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine.

Molecular Properties

Compound NameN-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine
PubChem CID175424569
Molecular FormulaC12H7Cl2FN4
Molecular Weight297.12 g/mol
Exact Mass296.00
IUPAC NameN-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine
SMILESFc1ccc(Nc2nc(Cl)ncc2Cl)c2[nH]ccc12
InChIInChI=1S/C12H7Cl2FN4/c13-7-5-17-12(14)19-11(7)18-9-2-1-8(15)6-3-4-16-10(6)9/h1-5,16H,(H,17,18,19)
InChIKeyBRJUCYPRYJDLQP-UHFFFAOYSA-N
XLogP4.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine
CID 167015222
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
2,5-dichloro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 79632308
2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine
CID 165395228
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82016257
2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373
N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine
CID 88931790
5-chloro-4-N-(2-fluoro-5-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755789

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine?
The IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine (CID 175424569) is N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine.
What is the SMILES notation for N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine?
The canonical SMILES for N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine is Fc1ccc(Nc2nc(Cl)ncc2Cl)c2[nH]ccc12.
What is the InChIKey of N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine?
The InChIKey is BRJUCYPRYJDLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN4/c13-7-5-17-12(14)19-11(7)18-9-2-1-8(15)6-3-4-16-10(6)9/h1-5,16H,(H,17,18,19).
What are the key properties of N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine?
N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine has a molecular weight of 297.12 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-1H-indol-7-amine is sourced from PubChem (CID 175424569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).