5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C11H14IN5 — CID 154465619

IUPAC5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(I)cn2CC1CCCN1
InChIInChI=1S/C11H14IN5/c12-8-5-17(4-7-2-1-3-14-7)11-9(8)10(13)15-6-16-11/h5-7,14H,1-4H2,(H2,13,15,16)
InChIKeyBHCPRIZRKLJRDU-UHFFFAOYSA-N
MW343.17 g/mol
LogP1.37
Rot. Bonds2

About 5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 154465619) has the molecular formula C11H14IN5 and a molecular weight of 343.17 g/mol. Its IUPAC name is 5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID154465619
Molecular FormulaC11H14IN5
Molecular Weight343.17 g/mol
Exact Mass343.03
IUPAC Name5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(I)cn2CC1CCCN1
InChIInChI=1S/C11H14IN5/c12-8-5-17(4-7-2-1-3-14-7)11-9(8)10(13)15-6-16-11/h5-7,14H,1-4H2,(H2,13,15,16)
InChIKeyBHCPRIZRKLJRDU-UHFFFAOYSA-N
XLogP1.37
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 90001762
7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 68784661
5-iodo-7-prop-2-ynylpyrrolo[2,3-d]pyrimidin-4-amine
CID 134518834
tert-butyl 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidine-1-carboxylate
CID 71014270
5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 118119789
3-[4-(3,5-difluorophenoxy)phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86714478
1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
CID 156848421
(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
CID 57230556
3-iodo-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71217432
7-[3-[(E)-2-(azetidin-1-yl)ethenyl]cyclobutyl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 166696366
N-[4-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methanesulfonamide
CID 58597194
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223794

Frequently Asked Questions

What is the IUPAC name of 5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 154465619) is 5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(I)cn2CC1CCCN1.
What is the InChIKey of 5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BHCPRIZRKLJRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN5/c12-8-5-17(4-7-2-1-3-14-7)11-9(8)10(13)15-6-16-11/h5-7,14H,1-4H2,(H2,13,15,16).
What are the key properties of 5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 343.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 154465619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).