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

C19H16Cl2N4 — CID 112927736

IUPACN-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCc3ccccc32)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N4/c1-12-10-18(25-9-8-13-4-2-3-5-17(13)25)24-19(22-12)23-14-6-7-15(20)16(21)11-14/h2-7,10-11H,8-9H2,1H3,(H,22,23,24)
InChIKeyYVZBYXWPEQLIRP-UHFFFAOYSA-N
MW371.27 g/mol
LogP5.53
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112927736) has the molecular formula C19H16Cl2N4 and a molecular weight of 371.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112927736
Molecular FormulaC19H16Cl2N4
Molecular Weight371.27 g/mol
Exact Mass370.08
IUPAC NameN-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCc3ccccc32)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N4/c1-12-10-18(25-9-8-13-4-2-3-5-17(13)25)24-19(22-12)23-14-6-7-15(20)16(21)11-14/h2-7,10-11H,8-9H2,1H3,(H,22,23,24)
InChIKeyYVZBYXWPEQLIRP-UHFFFAOYSA-N
XLogP5.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112927693
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112927730
4-(2,3-dihydroindol-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112927670
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927864
4-[[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112927898
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112909128
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
N-cycloheptyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112924966
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112927774

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine (CID 112927736) is N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCc3ccccc32)nc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is YVZBYXWPEQLIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4/c1-12-10-18(25-9-8-13-4-2-3-5-17(13)25)24-19(22-12)23-14-6-7-15(20)16(21)11-14/h2-7,10-11H,8-9H2,1H3,(H,22,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 371.27 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112927736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).