5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

C10H15IN4 — CID 99983541

IUPAC5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1ncnc(N2CCN(C)CC2)c1I
InChIInChI=1S/C10H15IN4/c1-8-9(11)10(13-7-12-8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3
InChIKeyMHKBHYCXYVDQRG-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.14
Rot. Bonds1

About 5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 99983541) has the molecular formula C10H15IN4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID99983541
Molecular FormulaC10H15IN4
Molecular Weight318.16 g/mol
Exact Mass318.03
IUPAC Name5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1ncnc(N2CCN(C)CC2)c1I
InChIInChI=1S/C10H15IN4/c1-8-9(11)10(13-7-12-8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3
InChIKeyMHKBHYCXYVDQRG-UHFFFAOYSA-N
XLogP1.14
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
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-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (CID 99983541) is 5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is Cc1ncnc(N2CCN(C)CC2)c1I.
What is the InChIKey of 5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is MHKBHYCXYVDQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4/c1-8-9(11)10(13-7-12-8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3.
What are the key properties of 5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 318.16 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 99983541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).