5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C18H25N5O — CID 3235004

IUPAC5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cncnc2NCCN2CCOCC2)cc1
InChIInChI=1S/C18H25N5O/c1-22(2)16-5-3-15(4-6-16)17-13-19-14-21-18(17)20-7-8-23-9-11-24-12-10-23/h3-6,13-14H,7-12H2,1-2H3,(H,19,20,21)
InChIKeyCMCQXKWIWIGENC-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.95
Rot. Bonds6

About 5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 3235004) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID3235004
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cncnc2NCCN2CCOCC2)cc1
InChIInChI=1S/C18H25N5O/c1-22(2)16-5-3-15(4-6-16)17-13-19-14-21-18(17)20-7-8-23-9-11-24-12-10-23/h3-6,13-14H,7-12H2,1-2H3,(H,19,20,21)
InChIKeyCMCQXKWIWIGENC-UHFFFAOYSA-N
XLogP1.95
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 3235004) is 5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is CN(C)c1ccc(-c2cncnc2NCCN2CCOCC2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is CMCQXKWIWIGENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22(2)16-5-3-15(4-6-16)17-13-19-14-21-18(17)20-7-8-23-9-11-24-12-10-23/h3-6,13-14H,7-12H2,1-2H3,(H,19,20,21).
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 327.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 3235004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).