1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine

C12H22N4 — CID 141256071

IUPAC1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine
SMILESCC(C)(C)CN1C=CC(N2CC(N)C2)=NC1
InChIInChI=1S/C12H22N4/c1-12(2,3)8-15-5-4-11(14-9-15)16-6-10(13)7-16/h4-5,10H,6-9,13H2,1-3H3
InChIKeyCCEUOMFPFIJDCZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.86
Rot. Bonds1

About 1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine

1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine (PubChem CID 141256071) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine
PubChem CID141256071
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine
SMILESCC(C)(C)CN1C=CC(N2CC(N)C2)=NC1
InChIInChI=1S/C12H22N4/c1-12(2,3)8-15-5-4-11(14-9-15)16-6-10(13)7-16/h4-5,10H,6-9,13H2,1-3H3
InChIKeyCCEUOMFPFIJDCZ-UHFFFAOYSA-N
XLogP0.86
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine
CID 141256053
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256056
(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256060
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
CID 174833381

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine?
The IUPAC name of 1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine (CID 141256071) is 1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine.
What is the SMILES notation for 1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine?
The canonical SMILES for 1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine is CC(C)(C)CN1C=CC(N2CC(N)C2)=NC1.
What is the InChIKey of 1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine?
The InChIKey is CCEUOMFPFIJDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,3)8-15-5-4-11(14-9-15)16-6-10(13)7-16/h4-5,10H,6-9,13H2,1-3H3.
What are the key properties of 1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine?
1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine is sourced from PubChem (CID 141256071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).