5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine

C10H19N3 — CID 103314778

IUPAC5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)C1CCN=C2NCCN21
InChIInChI=1S/C10H19N3/c1-10(2,3)8-4-5-11-9-12-6-7-13(8)9/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyKBROWAFXIHPGEM-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.07
Rot. Bonds

About 5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine

5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (PubChem CID 103314778) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
PubChem CID103314778
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)C1CCN=C2NCCN21
InChIInChI=1S/C10H19N3/c1-10(2,3)8-4-5-11-9-12-6-7-13(8)9/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyKBROWAFXIHPGEM-UHFFFAOYSA-N
XLogP1.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,4aS,7aS)-6,7,7-trimethyl-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,4-d]pyrimidine-2,4-diamine
CID 136244457
(2S,6S)-2,6-Di-tert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
CID 24746352
(2R,6R)-2,6-Di-tert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
CID 101951798
(2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
CID 102170749
(4S,4aS,7aS)-6,7,7-trimethyl-4,4a,5,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-diamine
CID 73347459
1-(5,5-Dimethylhexan-2-yl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 109501915
2-(4,4-Dimethylpentyl)-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111637994
1-(4,4-Dimethylpentyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111638033
1-(4,4-Dimethylpentyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111638034
1-(5,5-Dimethylhexyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915761
6,7,7-trimethyl-4,4a,5,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-diamine
CID 305268
5-(2,2-dimethylpropyl)-4,5-dihydro-1H-imidazol-2-amine
CID 59669454

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (CID 103314778) is 5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is CC(C)(C)C1CCN=C2NCCN21.
What is the InChIKey of 5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The InChIKey is KBROWAFXIHPGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2,3)8-4-5-11-9-12-6-7-13(8)9/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine has a molecular weight of 181.28 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 103314778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).