1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine

C11H17N3O — CID 66320832

IUPAC1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ncn1)C1CC1
InChIInChI=1S/C11H17N3O/c1-12-10(8-3-4-8)5-9-6-11(15-2)14-7-13-9/h6-8,10,12H,3-5H2,1-2H3
InChIKeyJVXNAGFVUJAMIA-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.03
Rot. Bonds5

About 1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine

1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine (PubChem CID 66320832) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
PubChem CID66320832
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ncn1)C1CC1
InChIInChI=1S/C11H17N3O/c1-12-10(8-3-4-8)5-9-6-11(15-2)14-7-13-9/h6-8,10,12H,3-5H2,1-2H3
InChIKeyJVXNAGFVUJAMIA-UHFFFAOYSA-N
XLogP1.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine (CID 66320832) is 1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine is CNC(Cc1cc(OC)ncn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The InChIKey is JVXNAGFVUJAMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-12-10(8-3-4-8)5-9-6-11(15-2)14-7-13-9/h6-8,10,12H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine is sourced from PubChem (CID 66320832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).