N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine

C19H17ClN4 — CID 112927774

IUPACN-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H17ClN4/c1-13-12-18(22-16-8-6-15(20)7-9-16)23-19(21-13)24-11-10-14-4-2-3-5-17(14)24/h2-9,12H,10-11H2,1H3,(H,21,22,23)
InChIKeyIUGZXRVWPLLFEP-UHFFFAOYSA-N
MW336.83 g/mol
LogP4.88
Rot. Bonds3

About N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine

N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112927774) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112927774
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC NameN-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H17ClN4/c1-13-12-18(22-16-8-6-15(20)7-9-16)23-19(21-13)24-11-10-14-4-2-3-5-17(14)24/h2-9,12H,10-11H2,1H3,(H,21,22,23)
InChIKeyIUGZXRVWPLLFEP-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-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112929830
methyl 3-[[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112927803
N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112926469
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112927953
N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112877245
1-(4-methoxy-6-methylpyrimidin-2-yl)-2,3-dihydroindole
CID 43817662
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335400
N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112924885
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335430
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335380
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112877270

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine (CID 112927774) is N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2ccc(Cl)cc2)nc(N2CCc3ccccc32)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is IUGZXRVWPLLFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4/c1-13-12-18(22-16-8-6-15(20)7-9-16)23-19(21-13)24-11-10-14-4-2-3-5-17(14)24/h2-9,12H,10-11H2,1H3,(H,21,22,23).
What are the key properties of N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine?
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-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-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112927774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).