5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine

C17H22N4O2 — CID 66509697

IUPAC5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CNCCO2)cc1
InChIInChI=1S/C17H22N4O2/c1-21(2)17-19-10-14(12-4-6-13(22-3)7-5-12)16(20-17)15-11-18-8-9-23-15/h4-7,10,15,18H,8-9,11H2,1-3H3
InChIKeyUMIBHYIMOQRABR-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.88
Rot. Bonds4

About 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine

5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine (PubChem CID 66509697) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
PubChem CID66509697
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CNCCO2)cc1
InChIInChI=1S/C17H22N4O2/c1-21(2)17-19-10-14(12-4-6-13(22-3)7-5-12)16(20-17)15-11-18-8-9-23-15/h4-7,10,15,18H,8-9,11H2,1-3H3
InChIKeyUMIBHYIMOQRABR-UHFFFAOYSA-N
XLogP1.88
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine (CID 66509697) is 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine is COc1ccc(-c2cnc(N(C)C)nc2C2CNCCO2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine?
The InChIKey is UMIBHYIMOQRABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(2)17-19-10-14(12-4-6-13(22-3)7-5-12)16(20-17)15-11-18-8-9-23-15/h4-7,10,15,18H,8-9,11H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine?
5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 66509697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).