5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine

C14H15IN4 — CID 65418435

IUPAC5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine
SMILESIc1cncnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H15IN4/c15-13-10-16-11-17-14(13)19-8-6-18(7-9-19)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyFCNSNCSYIAWSRS-UHFFFAOYSA-N
MW366.21 g/mol
LogP2.41
Rot. Bonds2

About 5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine

5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 65418435) has the molecular formula C14H15IN4 and a molecular weight of 366.21 g/mol. Its IUPAC name is 5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID65418435
Molecular FormulaC14H15IN4
Molecular Weight366.21 g/mol
Exact Mass366.03
IUPAC Name5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine
SMILESIc1cncnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H15IN4/c15-13-10-16-11-17-14(13)19-8-6-18(7-9-19)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyFCNSNCSYIAWSRS-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 52.41
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-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine (CID 65418435) is 5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine is Ic1cncnc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is FCNSNCSYIAWSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4/c15-13-10-16-11-17-14(13)19-8-6-18(7-9-19)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2.
What are the key properties of 5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine?
5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 366.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 65418435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).