4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide

C24H27N5O2 — CID 3050086

IUPAC4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H27N5O2/c1-18-17-22(28-23(26-18)19-5-3-2-4-6-19)27-21-9-7-20(8-10-21)24(30)25-11-12-29-13-15-31-16-14-29/h2-10,17H,11-16H2,1H3,(H,25,30)(H,26,27,28)
InChIKeyVKUJWFCUPCNRPZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.26
Rot. Bonds7

About 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide

4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 3050086) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID3050086
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H27N5O2/c1-18-17-22(28-23(26-18)19-5-3-2-4-6-19)27-21-9-7-20(8-10-21)24(30)25-11-12-29-13-15-31-16-14-29/h2-10,17H,11-16H2,1H3,(H,25,30)(H,26,27,28)
InChIKeyVKUJWFCUPCNRPZ-UHFFFAOYSA-N
XLogP3.26
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 3050086) is 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide is Cc1cc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is VKUJWFCUPCNRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18-17-22(28-23(26-18)19-5-3-2-4-6-19)27-21-9-7-20(8-10-21)24(30)25-11-12-29-13-15-31-16-14-29/h2-10,17H,11-16H2,1H3,(H,25,30)(H,26,27,28).
What are the key properties of 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 3050086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).