5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine

C13H21IN4 — CID 66509613

IUPAC5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESCC(C)N1CCCC1c1nc(N(C)C)ncc1I
InChIInChI=1S/C13H21IN4/c1-9(2)18-7-5-6-11(18)12-10(14)8-15-13(16-12)17(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyVCMKUWFHLXJWAG-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.69
Rot. Bonds3

About 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine

5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine (PubChem CID 66509613) has the molecular formula C13H21IN4 and a molecular weight of 360.24 g/mol. Its IUPAC name is 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
PubChem CID66509613
Molecular FormulaC13H21IN4
Molecular Weight360.24 g/mol
Exact Mass360.08
IUPAC Name5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESCC(C)N1CCCC1c1nc(N(C)C)ncc1I
InChIInChI=1S/C13H21IN4/c1-9(2)18-7-5-6-11(18)12-10(14)8-15-13(16-12)17(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyVCMKUWFHLXJWAG-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine (CID 66509613) is 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine is CC(C)N1CCCC1c1nc(N(C)C)ncc1I.
What is the InChIKey of 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine?
The InChIKey is VCMKUWFHLXJWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4/c1-9(2)18-7-5-6-11(18)12-10(14)8-15-13(16-12)17(3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine?
5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine has a molecular weight of 360.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpyrrolidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 66509613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).