5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C17H22N4O2 — CID 3235221

IUPAC5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1NCCN1CCOCC1
InChIInChI=1S/C17H22N4O2/c1-22-16-5-3-2-4-14(16)15-12-18-13-20-17(15)19-6-7-21-8-10-23-11-9-21/h2-5,12-13H,6-11H2,1H3,(H,18,19,20)
InChIKeyOPVYXLGDTLRIDN-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.90
Rot. Bonds6

About 5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 3235221) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID3235221
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1NCCN1CCOCC1
InChIInChI=1S/C17H22N4O2/c1-22-16-5-3-2-4-14(16)15-12-18-13-20-17(15)19-6-7-21-8-10-23-11-9-21/h2-5,12-13H,6-11H2,1H3,(H,18,19,20)
InChIKeyOPVYXLGDTLRIDN-UHFFFAOYSA-N
XLogP1.90
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 3235221) is 5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is COc1ccccc1-c1cncnc1NCCN1CCOCC1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is OPVYXLGDTLRIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-22-16-5-3-2-4-14(16)15-12-18-13-20-17(15)19-6-7-21-8-10-23-11-9-21/h2-5,12-13H,6-11H2,1H3,(H,18,19,20).
What are the key properties of 5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 3235221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).