N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide

C21H23N5O2 — CID 122356909

IUPACN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-19(16(2)23-21(22-15)26-11-13-28-14-12-26)24-20(27)17-5-7-18(8-6-17)25-9-3-4-10-25/h3-10H,11-14H2,1-2H3,(H,24,27)
InChIKeyOGWLXSCSZONUGP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.97
Rot. Bonds4

About N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 122356909) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide
PubChem CID122356909
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-19(16(2)23-21(22-15)26-11-13-28-14-12-26)24-20(27)17-5-7-18(8-6-17)25-9-3-4-10-25/h3-10H,11-14H2,1-2H3,(H,24,27)
InChIKeyOGWLXSCSZONUGP-UHFFFAOYSA-N
XLogP2.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122356884
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 122254859
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylbenzamide
CID 122357040
5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 91968599
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356869
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122356809
1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 91968661
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 122357061
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
CID 122357062
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-4-pyrrol-1-ylbenzamide
CID 122295711
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122356821
2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
CID 91968602

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide (CID 122356909) is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide is Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is OGWLXSCSZONUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-19(16(2)23-21(22-15)26-11-13-28-14-12-26)24-20(27)17-5-7-18(8-6-17)25-9-3-4-10-25/h3-10H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide?
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide has a molecular weight of 377.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 122356909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).