N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine

C20H17ClN4O — CID 56683288

IUPACN-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine
SMILESCOc1ccc2[nH]c(C)c(-c3ccnc(Nc4ccc(Cl)cc4)n3)c2c1
InChIInChI=1S/C20H17ClN4O/c1-12-19(16-11-15(26-2)7-8-17(16)23-12)18-9-10-22-20(25-18)24-14-5-3-13(21)4-6-14/h3-11,23H,1-2H3,(H,22,24,25)
InChIKeyNIARUGPUHUTYPQ-UHFFFAOYSA-N
MW364.84 g/mol
LogP5.34
Rot. Bonds4

About N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine

N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine (PubChem CID 56683288) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine
PubChem CID56683288
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC NameN-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine
SMILESCOc1ccc2[nH]c(C)c(-c3ccnc(Nc4ccc(Cl)cc4)n3)c2c1
InChIInChI=1S/C20H17ClN4O/c1-12-19(16-11-15(26-2)7-8-17(16)23-12)18-9-10-22-20(25-18)24-14-5-3-13(21)4-6-14/h3-11,23H,1-2H3,(H,22,24,25)
InChIKeyNIARUGPUHUTYPQ-UHFFFAOYSA-N
XLogP5.34
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.84
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine (CID 56683288) is N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine is COc1ccc2[nH]c(C)c(-c3ccnc(Nc4ccc(Cl)cc4)n3)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The InChIKey is NIARUGPUHUTYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-12-19(16-11-15(26-2)7-8-17(16)23-12)18-9-10-22-20(25-18)24-14-5-3-13(21)4-6-14/h3-11,23H,1-2H3,(H,22,24,25).
What are the key properties of N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine has a molecular weight of 364.84 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 56683288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).