N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

C17H26N6O — CID 50950768

IUPACN-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(NC(Cn2ccnc2)C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C17H26N6O/c1-13(2)15(11-22-5-4-18-12-22)20-16-10-14(3)19-17(21-16)23-6-8-24-9-7-23/h4-5,10,12-13,15H,6-9,11H2,1-3H3,(H,19,20,21)
InChIKeyIIJOCFXMTMNYDD-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.95
Rot. Bonds6

About N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 50950768) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID50950768
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(NC(Cn2ccnc2)C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C17H26N6O/c1-13(2)15(11-22-5-4-18-12-22)20-16-10-14(3)19-17(21-16)23-6-8-24-9-7-23/h4-5,10,12-13,15H,6-9,11H2,1-3H3,(H,19,20,21)
InChIKeyIIJOCFXMTMNYDD-UHFFFAOYSA-N
XLogP1.95
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 50950768) is N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is Cc1cc(NC(Cn2ccnc2)C(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is IIJOCFXMTMNYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13(2)15(11-22-5-4-18-12-22)20-16-10-14(3)19-17(21-16)23-6-8-24-9-7-23/h4-5,10,12-13,15H,6-9,11H2,1-3H3,(H,19,20,21).
What are the key properties of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 50950768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).