5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine

C8H13IN4 — CID 21467953

IUPAC5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(N)nc(C)c1I
InChIInChI=1S/C8H13IN4/c1-3-4-11-7-6(9)5(2)12-8(10)13-7/h3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyQZMUPBZMGQNXBZ-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.79
Rot. Bonds3

About 5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine

5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 21467953) has the molecular formula C8H13IN4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID21467953
Molecular FormulaC8H13IN4
Molecular Weight292.12 g/mol
Exact Mass292.02
IUPAC Name5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(N)nc(C)c1I
InChIInChI=1S/C8H13IN4/c1-3-4-11-7-6(9)5(2)12-8(10)13-7/h3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyQZMUPBZMGQNXBZ-UHFFFAOYSA-N
XLogP1.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.79
H-Bond Donors ≤ 52
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 5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine (CID 21467953) is 5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine is CCCNc1nc(N)nc(C)c1I.
What is the InChIKey of 5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is QZMUPBZMGQNXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN4/c1-3-4-11-7-6(9)5(2)12-8(10)13-7/h3-4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine?
5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 292.12 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 21467953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).