5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine

C14H16IN3 — CID 66306895

IUPAC5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
SMILESCNc1nc(CCc2ccccc2)nc(C)c1I
InChIInChI=1S/C14H16IN3/c1-10-13(15)14(16-2)18-12(17-10)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyRIHKBGRRMACKFP-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.22
Rot. Bonds4

About 5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine

5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 66306895) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
PubChem CID66306895
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC Name5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
SMILESCNc1nc(CCc2ccccc2)nc(C)c1I
InChIInChI=1S/C14H16IN3/c1-10-13(15)14(16-2)18-12(17-10)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyRIHKBGRRMACKFP-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine (CID 66306895) is 5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine is CNc1nc(CCc2ccccc2)nc(C)c1I.
What is the InChIKey of 5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is RIHKBGRRMACKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-10-13(15)14(16-2)18-12(17-10)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine?
5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66306895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).