6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine

C13H21N3O2 — CID 50984048

IUPAC6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(N(C)CCC2CCCCO2)ncn1
InChIInChI=1S/C13H21N3O2/c1-16(7-6-11-5-3-4-8-18-11)12-9-13(17-2)15-10-14-12/h9-11H,3-8H2,1-2H3
InChIKeyOLGHWKQOPMWTMA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.88
Rot. Bonds5

About 6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine

6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 50984048) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine
PubChem CID50984048
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(N(C)CCC2CCCCO2)ncn1
InChIInChI=1S/C13H21N3O2/c1-16(7-6-11-5-3-4-8-18-11)12-9-13(17-2)15-10-14-12/h9-11H,3-8H2,1-2H3
InChIKeyOLGHWKQOPMWTMA-UHFFFAOYSA-N
XLogP1.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine (CID 50984048) is 6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine is COc1cc(N(C)CCC2CCCCO2)ncn1.
What is the InChIKey of 6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is OLGHWKQOPMWTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(7-6-11-5-3-4-8-18-11)12-9-13(17-2)15-10-14-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine?
6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50984048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).