N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine

C12H22N4 — CID 141256053

IUPACN-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine
SMILESCNC1CN(C2=NCN(CC(C)C)C=C2)C1
InChIInChI=1S/C12H22N4/c1-10(2)6-15-5-4-12(14-9-15)16-7-11(8-16)13-3/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyGBGBTUQAODMSNI-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.73
Rot. Bonds3

About N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine

N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine (PubChem CID 141256053) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine
PubChem CID141256053
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine
SMILESCNC1CN(C2=NCN(CC(C)C)C=C2)C1
InChIInChI=1S/C12H22N4/c1-10(2)6-15-5-4-12(14-9-15)16-7-11(8-16)13-3/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyGBGBTUQAODMSNI-UHFFFAOYSA-N
XLogP0.73
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine?
The IUPAC name of N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine (CID 141256053) is N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine.
What is the SMILES notation for N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine?
The canonical SMILES for N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine is CNC1CN(C2=NCN(CC(C)C)C=C2)C1.
What is the InChIKey of N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine?
The InChIKey is GBGBTUQAODMSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)6-15-5-4-12(14-9-15)16-7-11(8-16)13-3/h4-5,10-11,13H,6-9H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine?
N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine is sourced from PubChem (CID 141256053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).