4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine

C11H18N4 — CID 64830898

IUPAC4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(CC(N)C2CC2)n1
InChIInChI=1S/C11H18N4/c1-15(2)11-13-6-5-9(14-11)7-10(12)8-3-4-8/h5-6,8,10H,3-4,7,12H2,1-2H3
InChIKeyWZVLDIKSKNYIRI-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.82
Rot. Bonds4

About 4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine

4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 64830898) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID64830898
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(CC(N)C2CC2)n1
InChIInChI=1S/C11H18N4/c1-15(2)11-13-6-5-9(14-11)7-10(12)8-3-4-8/h5-6,8,10H,3-4,7,12H2,1-2H3
InChIKeyWZVLDIKSKNYIRI-UHFFFAOYSA-N
XLogP0.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine (CID 64830898) is 4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(CC(N)C2CC2)n1.
What is the InChIKey of 4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is WZVLDIKSKNYIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-15(2)11-13-6-5-9(14-11)7-10(12)8-3-4-8/h5-6,8,10H,3-4,7,12H2,1-2H3.
What are the key properties of 4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine?
4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 206.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64830898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).