2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine

C19H25N5O — CID 112933250

IUPAC2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1cc(-c2ccccc2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C19H25N5O/c1-2-8-20-18-15-17(16-6-4-3-5-7-16)22-19(23-18)21-9-10-24-11-13-25-14-12-24/h2-7,15H,1,8-14H2,(H2,20,21,22,23)
InChIKeyUJEVNEFMEXCQTK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.49
Rot. Bonds8

About 2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine

2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112933250) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112933250
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1cc(-c2ccccc2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C19H25N5O/c1-2-8-20-18-15-17(16-6-4-3-5-7-16)22-19(23-18)21-9-10-24-11-13-25-14-12-24/h2-7,15H,1,8-14H2,(H2,20,21,22,23)
InChIKeyUJEVNEFMEXCQTK-UHFFFAOYSA-N
XLogP2.49
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine
CID 112933992
4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882667
2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933264
2-N-[2-(4-chlorophenyl)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933289
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933276
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112932919
2-N-[(4-methoxyphenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933268
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
2-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933302

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine (CID 112933250) is 2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1cc(-c2ccccc2)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is UJEVNEFMEXCQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-8-20-18-15-17(16-6-4-3-5-7-16)22-19(23-18)21-9-10-24-11-13-25-14-12-24/h2-7,15H,1,8-14H2,(H2,20,21,22,23).
What are the key properties of 2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 339.44 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).