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

C18H14ClFN4 — CID 112902195

IUPACN-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCc4ccccc43)n2)cc1Cl
InChIInChI=1S/C18H14ClFN4/c19-14-11-13(5-6-15(14)20)22-18-21-9-7-17(23-18)24-10-8-12-3-1-2-4-16(12)24/h1-7,9,11H,8,10H2,(H,21,22,23)
InChIKeyPVZDWQDZZIYLPE-UHFFFAOYSA-N
MW340.79 g/mol
LogP4.71
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine (PubChem CID 112902195) has the molecular formula C18H14ClFN4 and a molecular weight of 340.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
PubChem CID112902195
Molecular FormulaC18H14ClFN4
Molecular Weight340.79 g/mol
Exact Mass340.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCc4ccccc43)n2)cc1Cl
InChIInChI=1S/C18H14ClFN4/c19-14-11-13(5-6-15(14)20)22-18-21-9-7-17(23-18)24-10-8-12-3-1-2-4-16(12)24/h1-7,9,11H,8,10H2,(H,21,22,23)
InChIKeyPVZDWQDZZIYLPE-UHFFFAOYSA-N
XLogP4.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 54.71
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)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine (CID 112902195) is N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine is Fc1ccc(Nc2nccc(N3CCc4ccccc43)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The InChIKey is PVZDWQDZZIYLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4/c19-14-11-13(5-6-15(14)20)22-18-21-9-7-17(23-18)24-10-8-12-3-1-2-4-16(12)24/h1-7,9,11H,8,10H2,(H,21,22,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine has a molecular weight of 340.79 g/mol, XLogP of 4.71, 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)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112902195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).