5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine

C10H16IN3 — CID 106329415

IUPAC5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCC(C)(CC)Nc1ncncc1I
InChIInChI=1S/C10H16IN3/c1-4-10(3,5-2)14-9-8(11)6-12-7-13-9/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyHYTFNEVPUYAOOB-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.07
Rot. Bonds4

About 5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine

5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine (PubChem CID 106329415) has the molecular formula C10H16IN3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine
PubChem CID106329415
Molecular FormulaC10H16IN3
Molecular Weight305.16 g/mol
Exact Mass305.04
IUPAC Name5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCC(C)(CC)Nc1ncncc1I
InChIInChI=1S/C10H16IN3/c1-4-10(3,5-2)14-9-8(11)6-12-7-13-9/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyHYTFNEVPUYAOOB-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.07
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-(3-methylpentan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine (CID 106329415) is 5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine is CCC(C)(CC)Nc1ncncc1I.
What is the InChIKey of 5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine?
The InChIKey is HYTFNEVPUYAOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3/c1-4-10(3,5-2)14-9-8(11)6-12-7-13-9/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine?
5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine has a molecular weight of 305.16 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 106329415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).