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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Related Compounds

Sb-1578
CID 16750271
Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 26
CID 11220580
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-2-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11213310
(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 11271115
3-Benzofuran-5-yl-2-(5-pyridin-2-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11431026
3-[2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
CID 72202249
Jak2-IN-4
CID 76072368
3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492943
(3S)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492999

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).