6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine

C23H25N5 — CID 112877270

IUPAC6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(N3CCCC3)cc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C23H25N5/c1-17-24-22(26-19-8-10-20(11-9-19)27-13-4-5-14-27)16-23(25-17)28-15-12-18-6-2-3-7-21(18)28/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,24,25,26)
InChIKeyGWSZUDCPTVQQNS-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.82
Rot. Bonds4

About 6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine

6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine (PubChem CID 112877270) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
PubChem CID112877270
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(N3CCCC3)cc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C23H25N5/c1-17-24-22(26-19-8-10-20(11-9-19)27-13-4-5-14-27)16-23(25-17)28-15-12-18-6-2-3-7-21(18)28/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,24,25,26)
InChIKeyGWSZUDCPTVQQNS-UHFFFAOYSA-N
XLogP4.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.82
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

6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112877245
4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193280
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
3-[[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877287
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074
6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112870948
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112877336
6-hydrazinyl-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80907284

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine (CID 112877270) is 6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine is Cc1nc(Nc2ccc(N3CCCC3)cc2)cc(N2CCc3ccccc32)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine?
The InChIKey is GWSZUDCPTVQQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-17-24-22(26-19-8-10-20(11-9-19)27-13-4-5-14-27)16-23(25-17)28-15-12-18-6-2-3-7-21(18)28/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,24,25,26).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine?
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine has a molecular weight of 371.49 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112877270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).