2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide

C22H29N5O2 — CID 53131750

IUPAC2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide
SMILESCCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NCCCOC)c12
InChIInChI=1S/C22H29N5O2/c1-4-26(5-2)22-21-20(24-16-25-22)18(17-10-7-6-8-11-17)14-27(21)15-19(28)23-12-9-13-29-3/h6-8,10-11,14,16H,4-5,9,12-13,15H2,1-3H3,(H,23,28)
InChIKeyRESMVZKEYDODHP-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.10
Rot. Bonds10

About 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide

2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 53131750) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide
PubChem CID53131750
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide
SMILESCCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NCCCOC)c12
InChIInChI=1S/C22H29N5O2/c1-4-26(5-2)22-21-20(24-16-25-22)18(17-10-7-6-8-11-17)14-27(21)15-19(28)23-12-9-13-29-3/h6-8,10-11,14,16H,4-5,9,12-13,15H2,1-3H3,(H,23,28)
InChIKeyRESMVZKEYDODHP-UHFFFAOYSA-N
XLogP3.10
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 92898353
N-(furan-2-ylmethyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 53131709
N-(4-cyanophenyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 53131691
N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 8521152
2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-phenylacetamide
CID 53011903
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131744
1-[2-(3-methoxypropylamino)-2-oxoethyl]-2-methylpyrrole-3-carboxylic acid
CID 114189448
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 71840046
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114585479
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114583701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide (CID 53131750) is 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide is CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NCCCOC)c12.
What is the InChIKey of 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is RESMVZKEYDODHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-4-26(5-2)22-21-20(24-16-25-22)18(17-10-7-6-8-11-17)14-27(21)15-19(28)23-12-9-13-29-3/h6-8,10-11,14,16H,4-5,9,12-13,15H2,1-3H3,(H,23,28).
What are the key properties of 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide?
2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 395.51 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 53131750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).