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

C10H10ClIN4O — CID 171922514

IUPACN-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(Cl)c2c(I)c[nH]c2n1
InChIInChI=1S/C10H10ClIN4O/c1-4(2)9(17)16-10-14-7(11)6-5(12)3-13-8(6)15-10/h3-4H,1-2H3,(H2,13,14,15,16,17)
InChIKeyDVVIAUXFOGYWFL-UHFFFAOYSA-N
MW364.57 g/mol
LogP2.81
Rot. Bonds2

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

N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide (PubChem CID 171922514) has the molecular formula C10H10ClIN4O and a molecular weight of 364.57 g/mol. Its IUPAC name is N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide
PubChem CID171922514
Molecular FormulaC10H10ClIN4O
Molecular Weight364.57 g/mol
Exact Mass363.96
IUPAC NameN-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(Cl)c2c(I)c[nH]c2n1
InChIInChI=1S/C10H10ClIN4O/c1-4(2)9(17)16-10-14-7(11)6-5(12)3-13-8(6)15-10/h3-4H,1-2H3,(H2,13,14,15,16,17)
InChIKeyDVVIAUXFOGYWFL-UHFFFAOYSA-N
XLogP2.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 52.81
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

N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 10570348
N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide
CID 136570789
N-[4-(2-chloroacetyl)pyrimidin-2-yl]-2-methylpropanamide
CID 138484901
5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 10659823
N-[4-chloro-5-formamido-6-[[(4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrimidin-2-yl]-2-methylpropanamide
CID 143698043
methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 53412715
2-amino-N-(6-chloro-7H-purin-2-yl)butanamide
CID 114052303
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide
CID 102989622
N-(4,5-dichloro-9H-pyrimido[4,5-b]indol-2-yl)-2,2-dimethylpropanamide
CID 45103998
4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123651895
3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
CID 24801016

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide (CID 171922514) is N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nc(Cl)c2c(I)c[nH]c2n1.
What is the InChIKey of N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide?
The InChIKey is DVVIAUXFOGYWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN4O/c1-4(2)9(17)16-10-14-7(11)6-5(12)3-13-8(6)15-10/h3-4H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide?
N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide has a molecular weight of 364.57 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 171922514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).