2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine

C10H19N3 — CID 130971858

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine
SMILESCC1(C)CCN(C2=NCCCN2)C1
InChIInChI=1S/C10H19N3/c1-10(2)4-7-13(8-10)9-11-5-3-6-12-9/h3-8H2,1-2H3,(H,11,12)
InChIKeyZUJCLXPAYFYPFP-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.07
Rot. Bonds

About 2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine

2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 130971858) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine
PubChem CID130971858
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine
SMILESCC1(C)CCN(C2=NCCCN2)C1
InChIInChI=1S/C10H19N3/c1-10(2)4-7-13(8-10)9-11-5-3-6-12-9/h3-8H2,1-2H3,(H,11,12)
InChIKeyZUJCLXPAYFYPFP-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

N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide
CID 111738316
N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738000
N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide
CID 111738001
N-ethyl-3,3-dimethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111739855
N-ethyl-3,3-dimethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide
CID 111739856
N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111996246
N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
CID 111996247
1-(3,3-Dimethylbutyl)-1,2,3-trimethylguanidine
CID 20755638
N-ethyl-N'-methylpyrrolidine-1-carboximidamide
CID 22977263
1-(3,3-Dimethylbutyl)-2,3-dimethylguanidine
CID 59463948
N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 79631762
2-Pyrrolidin-1-yl-1,4,5,6-tetrahydropyrimidine
CID 85735937

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine (CID 130971858) is 2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine is CC1(C)CCN(C2=NCCCN2)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ZUJCLXPAYFYPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2)4-7-13(8-10)9-11-5-3-6-12-9/h3-8H2,1-2H3,(H,11,12).
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine?
2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine 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 2-(3,3-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 130971858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).