4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine

C10H17IN4 — CID 135271023

IUPAC4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(N)nc(C)c1I
InChIInChI=1S/C10H17IN4/c1-4-5-6-15(3)9-8(11)7(2)13-10(12)14-9/h4-6H2,1-3H3,(H2,12,13,14)
InChIKeyCWIJUMWGGFXSOT-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.21
Rot. Bonds4

About 4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine

4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 135271023) has the molecular formula C10H17IN4 and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID135271023
Molecular FormulaC10H17IN4
Molecular Weight320.18 g/mol
Exact Mass320.05
IUPAC Name4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(N)nc(C)c1I
InChIInChI=1S/C10H17IN4/c1-4-5-6-15(3)9-8(11)7(2)13-10(12)14-9/h4-6H2,1-3H3,(H2,12,13,14)
InChIKeyCWIJUMWGGFXSOT-UHFFFAOYSA-N
XLogP2.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.21
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 4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine (CID 135271023) is 4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine is CCCCN(C)c1nc(N)nc(C)c1I.
What is the InChIKey of 4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is CWIJUMWGGFXSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4/c1-4-5-6-15(3)9-8(11)7(2)13-10(12)14-9/h4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 320.18 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-iodo-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 135271023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).