5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine

C9H13IN4O — CID 59445286

IUPAC5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(NC2CCOC2)c1I
InChIInChI=1S/C9H13IN4O/c1-5-7(10)8(14-9(11)12-5)13-6-2-3-15-4-6/h6H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyQZCJPBMKVKPCGF-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.17
Rot. Bonds2

About 5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine

5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 59445286) has the molecular formula C9H13IN4O and a molecular weight of 320.13 g/mol. Its IUPAC name is 5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID59445286
Molecular FormulaC9H13IN4O
Molecular Weight320.13 g/mol
Exact Mass320.01
IUPAC Name5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(NC2CCOC2)c1I
InChIInChI=1S/C9H13IN4O/c1-5-7(10)8(14-9(11)12-5)13-6-2-3-15-4-6/h6H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyQZCJPBMKVKPCGF-UHFFFAOYSA-N
XLogP1.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine (CID 59445286) is 5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine is Cc1nc(N)nc(NC2CCOC2)c1I.
What is the InChIKey of 5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is QZCJPBMKVKPCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O/c1-5-7(10)8(14-9(11)12-5)13-6-2-3-15-4-6/h6H,2-4H2,1H3,(H3,11,12,13,14).
What are the key properties of 5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 320.13 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59445286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).