N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine

C9H14N4 — CID 66182049

IUPACN-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCc1nccc(N(C)C2CNC2)n1
InChIInChI=1S/C9H14N4/c1-7-11-4-3-9(12-7)13(2)8-5-10-6-8/h3-4,8,10H,5-6H2,1-2H3
InChIKeyMAOFSXPBMFQYDS-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.19
Rot. Bonds2

About N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine

N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 66182049) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine
PubChem CID66182049
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCc1nccc(N(C)C2CNC2)n1
InChIInChI=1S/C9H14N4/c1-7-11-4-3-9(12-7)13(2)8-5-10-6-8/h3-4,8,10H,5-6H2,1-2H3
InChIKeyMAOFSXPBMFQYDS-UHFFFAOYSA-N
XLogP0.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine (CID 66182049) is N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine is Cc1nccc(N(C)C2CNC2)n1.
What is the InChIKey of N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is MAOFSXPBMFQYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-11-4-3-9(12-7)13(2)8-5-10-6-8/h3-4,8,10H,5-6H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine?
N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66182049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).