4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C23H22N4O2 — CID 134135874

IUPAC4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C23H22N4O2/c1-16-15-24-23(26-22(16)21-14-17-4-2-3-5-20(17)29-21)25-18-6-8-19(9-7-18)27-10-12-28-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25,26)
InChIKeyQCNMDENTXKFIOO-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.78
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 134135874) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID134135874
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C23H22N4O2/c1-16-15-24-23(26-22(16)21-14-17-4-2-3-5-20(17)29-21)25-18-6-8-19(9-7-18)27-10-12-28-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25,26)
InChIKeyQCNMDENTXKFIOO-UHFFFAOYSA-N
XLogP4.78
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 134135874) is 4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cc2ccccc2o1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is QCNMDENTXKFIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-15-24-23(26-22(16)21-14-17-4-2-3-5-20(17)29-21)25-18-6-8-19(9-7-18)27-10-12-28-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25,26).
What are the key properties of 4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 386.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 134135874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).