6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine

C12H20N4 — CID 115347022

IUPAC6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(CCN(C)C)n1
InChIInChI=1S/C12H20N4/c1-13-12-8-10(9-4-5-9)14-11(15-12)6-7-16(2)3/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyOQQLGBISUBWRDK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.50
Rot. Bonds5

About 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine

6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine (PubChem CID 115347022) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine
PubChem CID115347022
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(CCN(C)C)n1
InChIInChI=1S/C12H20N4/c1-13-12-8-10(9-4-5-9)14-11(15-12)6-7-16(2)3/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyOQQLGBISUBWRDK-UHFFFAOYSA-N
XLogP1.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine (CID 115347022) is 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(CCN(C)C)n1.
What is the InChIKey of 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine?
The InChIKey is OQQLGBISUBWRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-13-12-8-10(9-4-5-9)14-11(15-12)6-7-16(2)3/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine?
6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115347022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).