5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol

C17H19ClN6O — CID 22185382

IUPAC5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol
SMILESCC(C)(CN)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1
InChIInChI=1S/C17H19ClN6O/c1-17(2,8-19)15-23-13(9-3-4-10(18)12(25)7-9)14(24-15)11-5-6-21-16(20)22-11/h3-7,25H,8,19H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyDCTLEVDGGICUNO-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.71
Rot. Bonds4

About 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol

5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol (PubChem CID 22185382) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol.

Molecular Properties

Compound Name5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol
PubChem CID22185382
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol
SMILESCC(C)(CN)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1
InChIInChI=1S/C17H19ClN6O/c1-17(2,8-19)15-23-13(9-3-4-10(18)12(25)7-9)14(24-15)11-5-6-21-16(20)22-11/h3-7,25H,8,19H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyDCTLEVDGGICUNO-UHFFFAOYSA-N
XLogP2.71
TPSA126.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol?
The IUPAC name of 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol (CID 22185382) is 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol.
What is the SMILES notation for 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol?
The canonical SMILES for 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol is CC(C)(CN)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1.
What is the InChIKey of 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol?
The InChIKey is DCTLEVDGGICUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-17(2,8-19)15-23-13(9-3-4-10(18)12(25)7-9)14(24-15)11-5-6-21-16(20)22-11/h3-7,25H,8,19H2,1-2H3,(H,23,24)(H2,20,21,22).
What are the key properties of 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol?
5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol has a molecular weight of 358.83 g/mol, XLogP of 2.71, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol is sourced from PubChem (CID 22185382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).