4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine

C22H25N5 — CID 112931696

IUPAC4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(N(C)C)cc2)nc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C22H25N5/c1-15-13-21(24-18-9-11-19(12-10-18)26(3)4)25-22(23-15)27-16(2)14-17-7-5-6-8-20(17)27/h5-13,16H,14H2,1-4H3,(H,23,24,25)
InChIKeyICZDQMQHMIOKMM-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.68
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine (PubChem CID 112931696) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
PubChem CID112931696
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(N(C)C)cc2)nc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C22H25N5/c1-15-13-21(24-18-9-11-19(12-10-18)26(3)4)25-22(23-15)27-16(2)14-17-7-5-6-8-20(17)27/h5-13,16H,14H2,1-4H3,(H,23,24,25)
InChIKeyICZDQMQHMIOKMM-UHFFFAOYSA-N
XLogP4.68
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112929830
N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112928303
3-[[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194544
N-(3-methoxypropyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112911855
N-ethyl-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-4-amine
CID 112928815
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112924525
N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112925677
4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80790051
N-(4-acetylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109337849
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112922431
4-[[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113193343
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine
CID 112969041

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine (CID 112931696) is 4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine is Cc1cc(Nc2ccc(N(C)C)cc2)nc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine?
The InChIKey is ICZDQMQHMIOKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-15-13-21(24-18-9-11-19(12-10-18)26(3)4)25-22(23-15)27-16(2)14-17-7-5-6-8-20(17)27/h5-13,16H,14H2,1-4H3,(H,23,24,25).
What are the key properties of 4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine has a molecular weight of 359.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine is sourced from PubChem (CID 112931696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).