5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid

C19H25N7O3 — CID 155939309

IUPAC5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid
SMILESCCn1cnc(Cn2ccnc2-c2cnc(NCC3CCCO3)nc2)c1.O=CO
InChIInChI=1S/C18H23N7O.CH2O2/c1-2-24-11-15(23-13-24)12-25-6-5-19-17(25)14-8-20-18(21-9-14)22-10-16-4-3-7-26-16;2-1-3/h5-6,8-9,11,13,16H,2-4,7,10,12H2,1H3,(H,20,21,22);1H,(H,2,3)
InChIKeyATFZQYMQBASWEN-UHFFFAOYSA-N
MW399.46 g/mol
LogP1.90
Rot. Bonds7

About 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid

5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid (PubChem CID 155939309) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid.

Molecular Properties

Compound Name5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid
PubChem CID155939309
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC Name5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid
SMILESCCn1cnc(Cn2ccnc2-c2cnc(NCC3CCCO3)nc2)c1.O=CO
InChIInChI=1S/C18H23N7O.CH2O2/c1-2-24-11-15(23-13-24)12-25-6-5-19-17(25)14-8-20-18(21-9-14)22-10-16-4-3-7-26-16;2-1-3/h5-6,8-9,11,13,16H,2-4,7,10,12H2,1H3,(H,20,21,22);1H,(H,2,3)
InChIKeyATFZQYMQBASWEN-UHFFFAOYSA-N
XLogP1.90
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol
CID 56755962
5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 154565762
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718607
2-amino-6-(2,5-dimethylfuran-3-yl)-4-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]pyridine-3-carbonitrile;formic acid
CID 171338719
3-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]imidazo[1,2-a]pyridine
CID 155492202
[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109252552
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251671
N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid
CID 166599913
N-[[1-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719035

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid?
The IUPAC name of 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid (CID 155939309) is 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid.
What is the SMILES notation for 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid?
The canonical SMILES for 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid is CCn1cnc(Cn2ccnc2-c2cnc(NCC3CCCO3)nc2)c1.O=CO.
What is the InChIKey of 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid?
The InChIKey is ATFZQYMQBASWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O.CH2O2/c1-2-24-11-15(23-13-24)12-25-6-5-19-17(25)14-8-20-18(21-9-14)22-10-16-4-3-7-26-16;2-1-3/h5-6,8-9,11,13,16H,2-4,7,10,12H2,1H3,(H,20,21,22);1H,(H,2,3).
What are the key properties of 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid?
5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid has a molecular weight of 399.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid is sourced from PubChem (CID 155939309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).