N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine

C20H20N4 — CID 112902154

IUPACN-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
SMILESCC1Cc2ccccc2N1c1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C20H20N4/c1-15-14-16-8-6-7-11-18(16)24(15)19-12-13-21-20(22-19)23(2)17-9-4-3-5-10-17/h3-13,15H,14H2,1-2H3
InChIKeyQQRZQYNPOZTIKQ-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.33
Rot. Bonds3

About N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine

N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine (PubChem CID 112902154) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
PubChem CID112902154
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC NameN-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
SMILESCC1Cc2ccccc2N1c1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C20H20N4/c1-15-14-16-8-6-7-11-18(16)24(15)19-12-13-21-20(22-19)23(2)17-9-4-3-5-10-17/h3-13,15H,14H2,1-2H3
InChIKeyQQRZQYNPOZTIKQ-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112903002
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112899050
4-[4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]morpholine
CID 112886644
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112902001
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890774
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889950
N-methyl-N-phenyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883885
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112906439
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112905248
N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884516
N-benzyl-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109170283
2-methyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112898809

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine (CID 112902154) is N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine is CC1Cc2ccccc2N1c1ccnc(N(C)c2ccccc2)n1.
What is the InChIKey of N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is QQRZQYNPOZTIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-15-14-16-8-6-7-11-18(16)24(15)19-12-13-21-20(22-19)23(2)17-9-4-3-5-10-17/h3-13,15H,14H2,1-2H3.
What are the key properties of N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine?
N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 112902154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).