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

C21H27N5O — CID 50836886

IUPAC2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide
SMILESCCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NC(C)C)c12
InChIInChI=1S/C21H27N5O/c1-5-25(6-2)21-20-19(22-14-23-21)17(16-10-8-7-9-11-16)12-26(20)13-18(27)24-15(3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,24,27)
InChIKeyTZJUIYRTELVCAY-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.47
Rot. Bonds7

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

2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide (PubChem CID 50836886) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide
PubChem CID50836886
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide
SMILESCCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NC(C)C)c12
InChIInChI=1S/C21H27N5O/c1-5-25(6-2)21-20-19(22-14-23-21)17(16-10-8-7-9-11-16)12-26(20)13-18(27)24-15(3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,24,27)
InChIKeyTZJUIYRTELVCAY-UHFFFAOYSA-N
XLogP3.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide (CID 50836886) is 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide is CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NC(C)C)c12.
What is the InChIKey of 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide?
The InChIKey is TZJUIYRTELVCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-5-25(6-2)21-20-19(22-14-23-21)17(16-10-8-7-9-11-16)12-26(20)13-18(27)24-15(3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,24,27).
What are the key properties of 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide?
2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide has a molecular weight of 365.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 50836886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).