5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C20H25N5O — CID 4909378

IUPAC5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(-c2ccccc2)c2ncnc(NCCN3CCOCC3)c12
InChIInChI=1S/C20H25N5O/c1-15-16(2)25(17-6-4-3-5-7-17)20-18(15)19(22-14-23-20)21-8-9-24-10-12-26-13-11-24/h3-7,14H,8-13H2,1-2H3,(H,21,22,23)
InChIKeyZGLAHKBSMHNLDZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.78
Rot. Bonds5

About 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4909378) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4909378
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(-c2ccccc2)c2ncnc(NCCN3CCOCC3)c12
InChIInChI=1S/C20H25N5O/c1-15-16(2)25(17-6-4-3-5-7-17)20-18(15)19(22-14-23-20)21-8-9-24-10-12-26-13-11-24/h3-7,14H,8-13H2,1-2H3,(H,21,22,23)
InChIKeyZGLAHKBSMHNLDZ-UHFFFAOYSA-N
XLogP2.78
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine
CID 44726219
N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490582
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432056
6-(4-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 11667883
7-(3-chloro-4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4063686
[5,6-dimethyl-7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine
CID 68530635
5,6-bis(furan-2-yl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 4894519
N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150929
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
4-N-(2-methylquinolin-8-yl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19144965

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4909378) is 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(-c2ccccc2)c2ncnc(NCCN3CCOCC3)c12.
What is the InChIKey of 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZGLAHKBSMHNLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15-16(2)25(17-6-4-3-5-7-17)20-18(15)19(22-14-23-20)21-8-9-24-10-12-26-13-11-24/h3-7,14H,8-13H2,1-2H3,(H,21,22,23).
What are the key properties of 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 351.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4909378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).