4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine

C22H26N4O — CID 135221220

IUPAC4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine
SMILESCCC(CC)c1cccc(-c2cc(C)cc(Nc3nccc(OC)n3)c2)n1
InChIInChI=1S/C22H26N4O/c1-5-16(6-2)19-8-7-9-20(25-19)17-12-15(3)13-18(14-17)24-22-23-11-10-21(26-22)27-4/h7-14,16H,5-6H2,1-4H3,(H,23,24,26)
InChIKeyGQUYKERXKKQGOA-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.50
Rot. Bonds7

About 4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine

4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine (PubChem CID 135221220) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine
PubChem CID135221220
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine
SMILESCCC(CC)c1cccc(-c2cc(C)cc(Nc3nccc(OC)n3)c2)n1
InChIInChI=1S/C22H26N4O/c1-5-16(6-2)19-8-7-9-20(25-19)17-12-15(3)13-18(14-17)24-22-23-11-10-21(26-22)27-4/h7-14,16H,5-6H2,1-4H3,(H,23,24,26)
InChIKeyGQUYKERXKKQGOA-UHFFFAOYSA-N
XLogP5.50
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine (CID 135221220) is 4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine is CCC(CC)c1cccc(-c2cc(C)cc(Nc3nccc(OC)n3)c2)n1.
What is the InChIKey of 4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine?
The InChIKey is GQUYKERXKKQGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-5-16(6-2)19-8-7-9-20(25-19)17-12-15(3)13-18(14-17)24-22-23-11-10-21(26-22)27-4/h7-14,16H,5-6H2,1-4H3,(H,23,24,26).
What are the key properties of 4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine?
4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine has a molecular weight of 362.48 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 135221220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).