N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine

C13H12Cl2N4 — CID 167014608

IUPACN-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine
SMILESCC1CNc2c(Nc3nc(Cl)ncc3Cl)cccc21
InChIInChI=1S/C13H12Cl2N4/c1-7-5-16-11-8(7)3-2-4-10(11)18-12-9(14)6-17-13(15)19-12/h2-4,6-7,16H,5H2,1H3,(H,17,18,19)
InChIKeyRYKHPEQVGFPLJC-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.06
Rot. Bonds2

About N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine

N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine (PubChem CID 167014608) has the molecular formula C13H12Cl2N4 and a molecular weight of 295.17 g/mol. Its IUPAC name is N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine.

Molecular Properties

Compound NameN-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine
PubChem CID167014608
Molecular FormulaC13H12Cl2N4
Molecular Weight295.17 g/mol
Exact Mass294.04
IUPAC NameN-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine
SMILESCC1CNc2c(Nc3nc(Cl)ncc3Cl)cccc21
InChIInChI=1S/C13H12Cl2N4/c1-7-5-16-11-8(7)3-2-4-10(11)18-12-9(14)6-17-13(15)19-12/h2-4,6-7,16H,5H2,1H3,(H,17,18,19)
InChIKeyRYKHPEQVGFPLJC-UHFFFAOYSA-N
XLogP4.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
2,5-dichloro-N-(2-propylphenyl)pyrimidin-4-amine
CID 79632081
1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one
CID 155457156
N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine
CID 167015222
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine
CID 167216908
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142742089
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine?
The IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine (CID 167014608) is N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine.
What is the SMILES notation for N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine?
The canonical SMILES for N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine is CC1CNc2c(Nc3nc(Cl)ncc3Cl)cccc21.
What is the InChIKey of N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine?
The InChIKey is RYKHPEQVGFPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4/c1-7-5-16-11-8(7)3-2-4-10(11)18-12-9(14)6-17-13(15)19-12/h2-4,6-7,16H,5H2,1H3,(H,17,18,19).
What are the key properties of N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine?
N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine has a molecular weight of 295.17 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine is sourced from PubChem (CID 167014608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).