N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

C19H16ClFN4 — CID 112904148

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCC1Cc2ccccc2N1c1nccc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C19H16ClFN4/c1-12-10-13-4-2-3-5-17(13)25(12)19-22-9-8-18(24-19)23-14-6-7-16(21)15(20)11-14/h2-9,11-12H,10H2,1H3,(H,22,23,24)
InChIKeyMUSKIKNGFKWNGB-UHFFFAOYSA-N
MW354.82 g/mol
LogP5.10
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112904148) has the molecular formula C19H16ClFN4 and a molecular weight of 354.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112904148
Molecular FormulaC19H16ClFN4
Molecular Weight354.82 g/mol
Exact Mass354.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCC1Cc2ccccc2N1c1nccc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C19H16ClFN4/c1-12-10-13-4-2-3-5-17(13)25(12)19-22-9-8-18(24-19)23-14-6-7-16(21)15(20)11-14/h2-9,11-12H,10H2,1H3,(H,22,23,24)
InChIKeyMUSKIKNGFKWNGB-UHFFFAOYSA-N
XLogP5.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.82
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112904148) is N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is CC1Cc2ccccc2N1c1nccc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is MUSKIKNGFKWNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4/c1-12-10-13-4-2-3-5-17(13)25(12)19-22-9-8-18(24-19)23-14-6-7-16(21)15(20)11-14/h2-9,11-12H,10H2,1H3,(H,22,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 354.82 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112904148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).