6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine

C16H21N5O2 — CID 50971539

IUPAC6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCOc1cc(NCC(c2ccccn2)N2CCOCC2)ncn1
InChIInChI=1S/C16H21N5O2/c1-22-16-10-15(19-12-20-16)18-11-14(13-4-2-3-5-17-13)21-6-8-23-9-7-21/h2-5,10,12,14H,6-9,11H2,1H3,(H,18,19,20)
InChIKeyXHIBKACDGQZPCV-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.37
Rot. Bonds6

About 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine

6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine (PubChem CID 50971539) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine
PubChem CID50971539
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCOc1cc(NCC(c2ccccn2)N2CCOCC2)ncn1
InChIInChI=1S/C16H21N5O2/c1-22-16-10-15(19-12-20-16)18-11-14(13-4-2-3-5-17-13)21-6-8-23-9-7-21/h2-5,10,12,14H,6-9,11H2,1H3,(H,18,19,20)
InChIKeyXHIBKACDGQZPCV-UHFFFAOYSA-N
XLogP1.37
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine (CID 50971539) is 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine is COc1cc(NCC(c2ccccn2)N2CCOCC2)ncn1.
What is the InChIKey of 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine?
The InChIKey is XHIBKACDGQZPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-22-16-10-15(19-12-20-16)18-11-14(13-4-2-3-5-17-13)21-6-8-23-9-7-21/h2-5,10,12,14H,6-9,11H2,1H3,(H,18,19,20).
What are the key properties of 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine?
6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 50971539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).