6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine

C14H17IN4 — CID 81311851

IUPAC6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(I)c(C(C)(C)C)n2)nc1
InChIInChI=1S/C14H17IN4/c1-8-5-6-9(17-7-8)13-18-11(14(2,3)4)10(15)12(16)19-13/h5-7H,1-4H3,(H2,16,18,19)
InChIKeyLTHIKXVWASXZAU-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.33
Rot. Bonds1

About 6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine

6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 81311851) has the molecular formula C14H17IN4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID81311851
Molecular FormulaC14H17IN4
Molecular Weight368.22 g/mol
Exact Mass368.05
IUPAC Name6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(I)c(C(C)(C)C)n2)nc1
InChIInChI=1S/C14H17IN4/c1-8-5-6-9(17-7-8)13-18-11(14(2,3)4)10(15)12(16)19-13/h5-7H,1-4H3,(H2,16,18,19)
InChIKeyLTHIKXVWASXZAU-UHFFFAOYSA-N
XLogP3.33
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
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 6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine (CID 81311851) is 6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine is Cc1ccc(-c2nc(N)c(I)c(C(C)(C)C)n2)nc1.
What is the InChIKey of 6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is LTHIKXVWASXZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN4/c1-8-5-6-9(17-7-8)13-18-11(14(2,3)4)10(15)12(16)19-13/h5-7H,1-4H3,(H2,16,18,19).
What are the key properties of 6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 368.22 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 81311851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).