5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C17H22N4O2 — CID 3232890

IUPAC5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cncnc2NCCN2CCOCC2)c1
InChIInChI=1S/C17H22N4O2/c1-22-15-4-2-3-14(11-15)16-12-18-13-20-17(16)19-5-6-21-7-9-23-10-8-21/h2-4,11-13H,5-10H2,1H3,(H,18,19,20)
InChIKeyOJNFWNPUIYWORJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.90
Rot. Bonds6

About 5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 3232890) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID3232890
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cncnc2NCCN2CCOCC2)c1
InChIInChI=1S/C17H22N4O2/c1-22-15-4-2-3-14(11-15)16-12-18-13-20-17(16)19-5-6-21-7-9-23-10-8-21/h2-4,11-13H,5-10H2,1H3,(H,18,19,20)
InChIKeyOJNFWNPUIYWORJ-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-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 3232890) is 5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is COc1cccc(-c2cncnc2NCCN2CCOCC2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is OJNFWNPUIYWORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-22-15-4-2-3-14(11-15)16-12-18-13-20-17(16)19-5-6-21-7-9-23-10-8-21/h2-4,11-13H,5-10H2,1H3,(H,18,19,20).
What are the key properties of 5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
5-(3-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-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 3232890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).