N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

C21H21ClN4O — CID 112906637

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H21ClN4O/c1-13-10-17(19(27-3)12-16(13)22)24-20-8-9-23-21(25-20)26-14(2)11-15-6-4-5-7-18(15)26/h4-10,12,14H,11H2,1-3H3,(H,23,24,25)
InChIKeyQVWDVJVBTODGTP-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.27
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112906637) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112906637
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H21ClN4O/c1-13-10-17(19(27-3)12-16(13)22)24-20-8-9-23-21(25-20)26-14(2)11-15-6-4-5-7-18(15)26/h4-10,12,14H,11H2,1-3H3,(H,23,24,25)
InChIKeyQVWDVJVBTODGTP-UHFFFAOYSA-N
XLogP5.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112906567
methyl 2-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112905856
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112901152
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112886156
1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole
CID 66493775
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903458
N-(5-chloro-2-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112966302
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-amine
CID 112920523
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112902403
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905095
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112906745
N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112969508

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112906637) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is COc1cc(Cl)c(C)cc1Nc1ccnc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is QVWDVJVBTODGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-13-10-17(19(27-3)12-16(13)22)24-20-8-9-23-21(25-20)26-14(2)11-15-6-4-5-7-18(15)26/h4-10,12,14H,11H2,1-3H3,(H,23,24,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 380.88 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112906637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).