4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

C20H21N5 — CID 112920011

IUPAC4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(N2c3ccccc3CC2C)nc(NCc2ccncc2)n1
InChIInChI=1S/C20H21N5/c1-14-11-19(25-15(2)12-17-5-3-4-6-18(17)25)24-20(23-14)22-13-16-7-9-21-10-8-16/h3-11,15H,12-13H2,1-2H3,(H,22,23,24)
InChIKeyMYUIZDATUYHYKW-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.87
Rot. Bonds4

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

4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 112920011) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID112920011
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(N2c3ccccc3CC2C)nc(NCc2ccncc2)n1
InChIInChI=1S/C20H21N5/c1-14-11-19(25-15(2)12-17-5-3-4-6-18(17)25)24-20(23-14)22-13-16-7-9-21-10-8-16/h3-11,15H,12-13H2,1-2H3,(H,22,23,24)
InChIKeyMYUIZDATUYHYKW-UHFFFAOYSA-N
XLogP3.87
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112926547
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine
CID 112927146
N-(2-fluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929425
N-(2,6-difluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932172
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
CID 113378830
N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929781
N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112930529
N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine
CID 112932074
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932042
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889950
4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (CID 112920011) is 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is Cc1cc(N2c3ccccc3CC2C)nc(NCc2ccncc2)n1.
What is the InChIKey of 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is MYUIZDATUYHYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-11-19(25-15(2)12-17-5-3-4-6-18(17)25)24-20(23-14)22-13-16-7-9-21-10-8-16/h3-11,15H,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 331.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112920011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).