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

C22H29N5O — CID 92898353

IUPACN-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
SMILESCC[C@@H](C)NC(=O)Cn1cc(-c2ccccc2)c2ncnc(N(CC)CC)c21
InChIInChI=1S/C22H29N5O/c1-5-16(4)25-19(28)14-27-13-18(17-11-9-8-10-12-17)20-21(27)22(24-15-23-20)26(6-2)7-3/h8-13,15-16H,5-7,14H2,1-4H3,(H,25,28)/t16-/m1/s1
InChIKeyCWICYUWXADKBNE-MRXNPFEDSA-N
MW379.51 g/mol
LogP3.86
Rot. Bonds8

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

N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide (PubChem CID 92898353) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
PubChem CID92898353
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
SMILESCC[C@@H](C)NC(=O)Cn1cc(-c2ccccc2)c2ncnc(N(CC)CC)c21
InChIInChI=1S/C22H29N5O/c1-5-16(4)25-19(28)14-27-13-18(17-11-9-8-10-12-17)20-21(27)22(24-15-23-20)26(6-2)7-3/h8-13,15-16H,5-7,14H2,1-4H3,(H,25,28)/t16-/m1/s1
InChIKeyCWICYUWXADKBNE-MRXNPFEDSA-N
XLogP3.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-propan-2-ylacetamide
CID 50836886
2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide
CID 53131750
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-benzyl-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131744
N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063397
2-(7-phenyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetic acid
CID 95916419
N-(3-methylphenyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131727
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95112936
N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 93058091
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(1-phenylethyl)acetamide
CID 53196767
N-cyclopentyl-2-(7-phenyl-4-thiomorpholin-4-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 50836953
N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 6620038

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide (CID 92898353) is N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide is CC[C@@H](C)NC(=O)Cn1cc(-c2ccccc2)c2ncnc(N(CC)CC)c21.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide?
The InChIKey is CWICYUWXADKBNE-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N5O/c1-5-16(4)25-19(28)14-27-13-18(17-11-9-8-10-12-17)20-21(27)22(24-15-23-20)26(6-2)7-3/h8-13,15-16H,5-7,14H2,1-4H3,(H,25,28)/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide?
N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide has a molecular weight of 379.51 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[4-(diethylamino)-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 92898353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).