N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine

C19H17ClN4 — CID 112902192

IUPACN-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCc1ccc(Cl)cc1Nc1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H17ClN4/c1-13-6-7-15(20)12-16(13)22-19-21-10-8-18(23-19)24-11-9-14-4-2-3-5-17(14)24/h2-8,10,12H,9,11H2,1H3,(H,21,22,23)
InChIKeyCRZLQMZJWLUFIJ-UHFFFAOYSA-N
MW336.83 g/mol
LogP4.88
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine

N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine (PubChem CID 112902192) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
PubChem CID112902192
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCc1ccc(Cl)cc1Nc1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H17ClN4/c1-13-6-7-15(20)12-16(13)22-19-21-10-8-18(23-19)24-11-9-14-4-2-3-5-17(14)24/h2-8,10,12H,9,11H2,1H3,(H,21,22,23)
InChIKeyCRZLQMZJWLUFIJ-UHFFFAOYSA-N
XLogP4.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902343
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112901514
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902218
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109176466
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188
4-(2,3-dihydroindol-1-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine
CID 130412775
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112902261
N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953161

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine (CID 112902192) is N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine is Cc1ccc(Cl)cc1Nc1nccc(N2CCc3ccccc32)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The InChIKey is CRZLQMZJWLUFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4/c1-13-6-7-15(20)12-16(13)22-19-21-10-8-18(23-19)24-11-9-14-4-2-3-5-17(14)24/h2-8,10,12H,9,11H2,1H3,(H,21,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine?
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine has a molecular weight of 336.83 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112902192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).