N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine

C12H20IN3O — CID 116777127

IUPACN-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(CC)(CC)OC)ncc1I
InChIInChI=1S/C12H20IN3O/c1-5-12(6-2,17-4)11-15-8-9(13)10(16-11)14-7-3/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyCRZSLGKJEFVPSW-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.17
Rot. Bonds6

About N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine

N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine (PubChem CID 116777127) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
PubChem CID116777127
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC NameN-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(CC)(CC)OC)ncc1I
InChIInChI=1S/C12H20IN3O/c1-5-12(6-2,17-4)11-15-8-9(13)10(16-11)14-7-3/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyCRZSLGKJEFVPSW-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.17
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 N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine (CID 116777127) is N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine is CCNc1nc(C(CC)(CC)OC)ncc1I.
What is the InChIKey of N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine?
The InChIKey is CRZSLGKJEFVPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3O/c1-5-12(6-2,17-4)11-15-8-9(13)10(16-11)14-7-3/h8H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine?
N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine has a molecular weight of 349.22 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 116777127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).