5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine

C10H16IN3 — CID 104840117

IUPAC5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
SMILESCC(C)C(C)N(C)c1ncc(I)cn1
InChIInChI=1S/C10H16IN3/c1-7(2)8(3)14(4)10-12-5-9(11)6-13-10/h5-8H,1-4H3
InChIKeyRAAGHWYKHCPMJE-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.56
Rot. Bonds3

About 5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine

5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine (PubChem CID 104840117) has the molecular formula C10H16IN3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
PubChem CID104840117
Molecular FormulaC10H16IN3
Molecular Weight305.16 g/mol
Exact Mass305.04
IUPAC Name5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
SMILESCC(C)C(C)N(C)c1ncc(I)cn1
InChIInChI=1S/C10H16IN3/c1-7(2)8(3)14(4)10-12-5-9(11)6-13-10/h5-8H,1-4H3
InChIKeyRAAGHWYKHCPMJE-UHFFFAOYSA-N
XLogP2.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
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-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine (CID 104840117) is 5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine is CC(C)C(C)N(C)c1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is RAAGHWYKHCPMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3/c1-7(2)8(3)14(4)10-12-5-9(11)6-13-10/h5-8H,1-4H3.
What are the key properties of 5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 305.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 104840117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).