2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C14H23N3 — CID 107924274

IUPAC2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(C2CC2(C)C)nc(C)c1C(C)CN
InChIInChI=1S/C14H23N3/c1-8(7-15)12-9(2)16-13(17-10(12)3)11-6-14(11,4)5/h8,11H,6-7,15H2,1-5H3
InChIKeyBYYAIKRLSAZVDV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.67
Rot. Bonds3

About 2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 107924274) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID107924274
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(C2CC2(C)C)nc(C)c1C(C)CN
InChIInChI=1S/C14H23N3/c1-8(7-15)12-9(2)16-13(17-10(12)3)11-6-14(11,4)5/h8,11H,6-7,15H2,1-5H3
InChIKeyBYYAIKRLSAZVDV-UHFFFAOYSA-N
XLogP2.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 107924274) is 2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is Cc1nc(C2CC2(C)C)nc(C)c1C(C)CN.
What is the InChIKey of 2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is BYYAIKRLSAZVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-8(7-15)12-9(2)16-13(17-10(12)3)11-6-14(11,4)5/h8,11H,6-7,15H2,1-5H3.
What are the key properties of 2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 107924274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).