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

C11H17IN4 — CID 66509607

IUPAC5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESCN(C)c1ncc(I)c(C2CCCN2C)n1
InChIInChI=1S/C11H17IN4/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)3/h7,9H,4-6H2,1-3H3
InChIKeyKNUALRZZQUKPDG-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.91
Rot. Bonds2

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

5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine (PubChem CID 66509607) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
PubChem CID66509607
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESCN(C)c1ncc(I)c(C2CCCN2C)n1
InChIInChI=1S/C11H17IN4/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)3/h7,9H,4-6H2,1-3H3
InChIKeyKNUALRZZQUKPDG-UHFFFAOYSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.91
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-methylpyrrolidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine (CID 66509607) is 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine is CN(C)c1ncc(I)c(C2CCCN2C)n1.
What is the InChIKey of 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine?
The InChIKey is KNUALRZZQUKPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine?
5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine has a molecular weight of 332.19 g/mol, XLogP of 1.91, 2 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-methylpyrrolidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 66509607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).