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

C21H22N4O — CID 112930529

IUPACN-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nc(C)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H22N4O/c1-14-12-20(25-15(2)13-16-8-4-6-10-18(16)25)24-21(22-14)23-17-9-5-7-11-19(17)26-3/h4-12,15H,13H2,1-3H3,(H,22,23,24)
InChIKeyPHJLKMUSYPLXCT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.62
Rot. Bonds4

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

N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (PubChem CID 112930529) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
PubChem CID112930529
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nc(C)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H22N4O/c1-14-12-20(25-15(2)13-16-8-4-6-10-18(16)25)24-21(22-14)23-17-9-5-7-11-19(17)26-3/h4-12,15H,13H2,1-3H3,(H,22,23,24)
InChIKeyPHJLKMUSYPLXCT-UHFFFAOYSA-N
XLogP4.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine
CID 112932074
N-(2,6-difluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932172
N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929781
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
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-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112920011
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091
N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112926547
N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004
N-(2-methoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109293406

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (CID 112930529) is N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is COc1ccccc1Nc1nc(C)cc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The InChIKey is PHJLKMUSYPLXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-12-20(25-15(2)13-16-8-4-6-10-18(16)25)24-21(22-14)23-17-9-5-7-11-19(17)26-3/h4-12,15H,13H2,1-3H3,(H,22,23,24).
What are the key properties of N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112930529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).