N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

C14H24N4O2 — CID 136878757

IUPACN-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)COCCCNC(=O)c1cn2c(n1)NCCC2
InChIInChI=1S/C14H24N4O2/c1-11(2)10-20-8-4-6-15-13(19)12-9-18-7-3-5-16-14(18)17-12/h9,11H,3-8,10H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyYBJHMKGQFGDAQC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136878757) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136878757
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)COCCCNC(=O)c1cn2c(n1)NCCC2
InChIInChI=1S/C14H24N4O2/c1-11(2)10-20-8-4-6-15-13(19)12-9-18-7-3-5-16-14(18)17-12/h9,11H,3-8,10H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyYBJHMKGQFGDAQC-UHFFFAOYSA-N
XLogP1.49
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136878757) is N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is CC(C)COCCCNC(=O)c1cn2c(n1)NCCC2.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is YBJHMKGQFGDAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(2)10-20-8-4-6-15-13(19)12-9-18-7-3-5-16-14(18)17-12/h9,11H,3-8,10H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136878757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).