N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide

C14H20N4O2 — CID 111480679

IUPACN-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cn2cccnc2n1
InChIInChI=1S/C14H20N4O2/c1-10(19)7-14(2,3)9-16-12(20)11-8-18-6-4-5-15-13(18)17-11/h4-6,8,10,19H,7,9H2,1-3H3,(H,16,20)
InChIKeyZTFFRCJQGNYXIO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.26
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 111480679) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID111480679
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cn2cccnc2n1
InChIInChI=1S/C14H20N4O2/c1-10(19)7-14(2,3)9-16-12(20)11-8-18-6-4-5-15-13(18)17-11/h4-6,8,10,19H,7,9H2,1-3H3,(H,16,20)
InChIKeyZTFFRCJQGNYXIO-UHFFFAOYSA-N
XLogP1.26
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 111480679) is N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide is CC(O)CC(C)(C)CNC(=O)c1cn2cccnc2n1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is ZTFFRCJQGNYXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(19)7-14(2,3)9-16-12(20)11-8-18-6-4-5-15-13(18)17-11/h4-6,8,10,19H,7,9H2,1-3H3,(H,16,20).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 111480679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).