N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine

C21H27N5O — CID 68630492

IUPACN-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nc(C(C)C)cc(C(C)C)n2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C21H27N5O/c1-12(2)17-10-18(13(3)4)26-21(25-17)24-15-7-8-16(19(9-15)27-6)20-22-11-14(5)23-20/h7-13H,1-6H3,(H,22,23)(H,24,25,26)
InChIKeySLMLHFDMYSTHGO-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.17
Rot. Bonds6

About N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine

N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine (PubChem CID 68630492) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine
PubChem CID68630492
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nc(C(C)C)cc(C(C)C)n2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C21H27N5O/c1-12(2)17-10-18(13(3)4)26-21(25-17)24-15-7-8-16(19(9-15)27-6)20-22-11-14(5)23-20/h7-13H,1-6H3,(H,22,23)(H,24,25,26)
InChIKeySLMLHFDMYSTHGO-UHFFFAOYSA-N
XLogP5.17
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine (CID 68630492) is N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine is COc1cc(Nc2nc(C(C)C)cc(C(C)C)n2)ccc1-c1ncc(C)[nH]1.
What is the InChIKey of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine?
The InChIKey is SLMLHFDMYSTHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-12(2)17-10-18(13(3)4)26-21(25-17)24-15-7-8-16(19(9-15)27-6)20-22-11-14(5)23-20/h7-13H,1-6H3,(H,22,23)(H,24,25,26).
What are the key properties of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine?
N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine has a molecular weight of 365.48 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 68630492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).