4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

C16H25N7O — CID 50958368

IUPAC4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCC(C)Cn1cncc1CNc1cc(N2CCOCC2)nc(N)n1
InChIInChI=1S/C16H25N7O/c1-12(2)10-23-11-18-8-13(23)9-19-14-7-15(21-16(17)20-14)22-3-5-24-6-4-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H3,17,19,20,21)
InChIKeyLGWDXXGXSXZNGM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.36
Rot. Bonds6

About 4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 50958368) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID50958368
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCC(C)Cn1cncc1CNc1cc(N2CCOCC2)nc(N)n1
InChIInChI=1S/C16H25N7O/c1-12(2)10-23-11-18-8-13(23)9-19-14-7-15(21-16(17)20-14)22-3-5-24-6-4-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H3,17,19,20,21)
InChIKeyLGWDXXGXSXZNGM-UHFFFAOYSA-N
XLogP1.36
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 50958368) is 4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine is CC(C)Cn1cncc1CNc1cc(N2CCOCC2)nc(N)n1.
What is the InChIKey of 4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is LGWDXXGXSXZNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-12(2)10-23-11-18-8-13(23)9-19-14-7-15(21-16(17)20-14)22-3-5-24-6-4-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H3,17,19,20,21).
What are the key properties of 4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 331.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 50958368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).