6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine

C14H24IN3 — CID 66298229

IUPAC6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
SMILESCNc1nc(CCC(C)C)nc(C(C)(C)C)c1I
InChIInChI=1S/C14H24IN3/c1-9(2)7-8-10-17-12(14(3,4)5)11(15)13(16-6)18-10/h9H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyLKMNGMPOEVHXJM-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.01
Rot. Bonds4

About 6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine

6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 66298229) has the molecular formula C14H24IN3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
PubChem CID66298229
Molecular FormulaC14H24IN3
Molecular Weight361.27 g/mol
Exact Mass361.10
IUPAC Name6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
SMILESCNc1nc(CCC(C)C)nc(C(C)(C)C)c1I
InChIInChI=1S/C14H24IN3/c1-9(2)7-8-10-17-12(14(3,4)5)11(15)13(16-6)18-10/h9H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyLKMNGMPOEVHXJM-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.01
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 6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine (CID 66298229) is 6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine is CNc1nc(CCC(C)C)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is LKMNGMPOEVHXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24IN3/c1-9(2)7-8-10-17-12(14(3,4)5)11(15)13(16-6)18-10/h9H,7-8H2,1-6H3,(H,16,17,18).
What are the key properties of 6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 361.27 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 66298229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).