2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine

C21H21N5O — CID 166367849

IUPAC2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1nccc(N(C)c2ccc(C)c(-c3ccc4nn(C)cc4c3)c2)n1
InChIInChI=1S/C21H21N5O/c1-14-5-7-17(26(3)20-9-10-22-21(23-20)27-4)12-18(14)15-6-8-19-16(11-15)13-25(2)24-19/h5-13H,1-4H3
InChIKeyLFHZGGLZLOOHCT-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.12
Rot. Bonds4

About 2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine

2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 166367849) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID166367849
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1nccc(N(C)c2ccc(C)c(-c3ccc4nn(C)cc4c3)c2)n1
InChIInChI=1S/C21H21N5O/c1-14-5-7-17(26(3)20-9-10-22-21(23-20)27-4)12-18(14)15-6-8-19-16(11-15)13-25(2)24-19/h5-13H,1-4H3
InChIKeyLFHZGGLZLOOHCT-UHFFFAOYSA-N
XLogP4.12
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine (CID 166367849) is 2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine is COc1nccc(N(C)c2ccc(C)c(-c3ccc4nn(C)cc4c3)c2)n1.
What is the InChIKey of 2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is LFHZGGLZLOOHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-5-7-17(26(3)20-9-10-22-21(23-20)27-4)12-18(14)15-6-8-19-16(11-15)13-25(2)24-19/h5-13H,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine?
2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 359.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[4-methyl-3-(2-methylindazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 166367849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).