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

C22H22N6O — CID 175440412

IUPAC4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine
SMILESCn1cnc2cc(-c3ccnc(Nc4ccc(C5CNCCO5)cc4)n3)ccc21
InChIInChI=1S/C22H22N6O/c1-28-14-25-19-12-16(4-7-20(19)28)18-8-9-24-22(27-18)26-17-5-2-15(3-6-17)21-13-23-10-11-29-21/h2-9,12,14,21,23H,10-11,13H2,1H3,(H,24,26,27)
InChIKeyGLWAVHIBACUDPY-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.43
Rot. Bonds4

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

4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine (PubChem CID 175440412) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine
PubChem CID175440412
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine
SMILESCn1cnc2cc(-c3ccnc(Nc4ccc(C5CNCCO5)cc4)n3)ccc21
InChIInChI=1S/C22H22N6O/c1-28-14-25-19-12-16(4-7-20(19)28)18-8-9-24-22(27-18)26-17-5-2-15(3-6-17)21-13-23-10-11-29-21/h2-9,12,14,21,23H,10-11,13H2,1H3,(H,24,26,27)
InChIKeyGLWAVHIBACUDPY-UHFFFAOYSA-N
XLogP3.43
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine (CID 175440412) is 4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine is Cn1cnc2cc(-c3ccnc(Nc4ccc(C5CNCCO5)cc4)n3)ccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is GLWAVHIBACUDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-28-14-25-19-12-16(4-7-20(19)28)18-8-9-24-22(27-18)26-17-5-2-15(3-6-17)21-13-23-10-11-29-21/h2-9,12,14,21,23H,10-11,13H2,1H3,(H,24,26,27).
What are the key properties of 4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine?
4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 386.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 175440412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).