N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide

C16H18N8O — CID 56921398

IUPACN-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1ncn(-c2cc(NCCNC(=O)c3cnccn3)ncn2)c1C
InChIInChI=1S/C16H18N8O/c1-11-12(2)24(10-23-11)15-7-14(21-9-22-15)19-5-6-20-16(25)13-8-17-3-4-18-13/h3-4,7-10H,5-6H2,1-2H3,(H,20,25)(H,19,21,22)
InChIKeyCAXSAWVXRHZNCX-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.91
Rot. Bonds6

About N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide

N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 56921398) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID56921398
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC NameN-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1ncn(-c2cc(NCCNC(=O)c3cnccn3)ncn2)c1C
InChIInChI=1S/C16H18N8O/c1-11-12(2)24(10-23-11)15-7-14(21-9-22-15)19-5-6-20-16(25)13-8-17-3-4-18-13/h3-4,7-10H,5-6H2,1-2H3,(H,20,25)(H,19,21,22)
InChIKeyCAXSAWVXRHZNCX-UHFFFAOYSA-N
XLogP0.91
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide (CID 56921398) is N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide is Cc1ncn(-c2cc(NCCNC(=O)c3cnccn3)ncn2)c1C.
What is the InChIKey of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is CAXSAWVXRHZNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-11-12(2)24(10-23-11)15-7-14(21-9-22-15)19-5-6-20-16(25)13-8-17-3-4-18-13/h3-4,7-10H,5-6H2,1-2H3,(H,20,25)(H,19,21,22).
What are the key properties of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 56921398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).