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

C16H24N6O — CID 56919948

IUPACN-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCc1ncn(-c2cc(NCCNC(=O)C(C)(C)C)ncn2)c1C
InChIInChI=1S/C16H24N6O/c1-11-12(2)22(10-21-11)14-8-13(19-9-20-14)17-6-7-18-15(23)16(3,4)5/h8-10H,6-7H2,1-5H3,(H,18,23)(H,17,19,20)
InChIKeyYRXHFPQZIRPTEO-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.85
Rot. Bonds5

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

N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 56919948) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID56919948
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCc1ncn(-c2cc(NCCNC(=O)C(C)(C)C)ncn2)c1C
InChIInChI=1S/C16H24N6O/c1-11-12(2)22(10-21-11)14-8-13(19-9-20-14)17-6-7-18-15(23)16(3,4)5/h8-10H,6-7H2,1-5H3,(H,18,23)(H,17,19,20)
InChIKeyYRXHFPQZIRPTEO-UHFFFAOYSA-N
XLogP1.85
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide (CID 56919948) is N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide is Cc1ncn(-c2cc(NCCNC(=O)C(C)(C)C)ncn2)c1C.
What is the InChIKey of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is YRXHFPQZIRPTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-12(2)22(10-21-11)14-8-13(19-9-20-14)17-6-7-18-15(23)16(3,4)5/h8-10H,6-7H2,1-5H3,(H,18,23)(H,17,19,20).
What are the key properties of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 316.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 56919948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).