N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide

C12H15IN4O — CID 10570348

IUPACN-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)nc2[nH]cc(I)c12
InChIInChI=1S/C12H15IN4O/c1-6-8-7(13)5-14-9(8)16-11(15-6)17-10(18)12(2,3)4/h5H,1-4H3,(H2,14,15,16,17,18)
InChIKeyHTERNAMPXDZLPQ-UHFFFAOYSA-N
MW358.18 g/mol
LogP2.86
Rot. Bonds1

About N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide

N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide (PubChem CID 10570348) has the molecular formula C12H15IN4O and a molecular weight of 358.18 g/mol. Its IUPAC name is N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
PubChem CID10570348
Molecular FormulaC12H15IN4O
Molecular Weight358.18 g/mol
Exact Mass358.03
IUPAC NameN-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)nc2[nH]cc(I)c12
InChIInChI=1S/C12H15IN4O/c1-6-8-7(13)5-14-9(8)16-11(15-6)17-10(18)12(2,3)4/h5H,1-4H3,(H2,14,15,16,17,18)
InChIKeyHTERNAMPXDZLPQ-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide
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5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
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N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide
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N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide
CID 5246721
2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
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N-(4-iodo-6-methyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide
CID 10759111
N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
CID 532037
4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide (CID 10570348) is N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide is Cc1nc(NC(=O)C(C)(C)C)nc2[nH]cc(I)c12.
What is the InChIKey of N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The InChIKey is HTERNAMPXDZLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4O/c1-6-8-7(13)5-14-9(8)16-11(15-6)17-10(18)12(2,3)4/h5H,1-4H3,(H2,14,15,16,17,18).
What are the key properties of N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide has a molecular weight of 358.18 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 10570348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).