1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine

C20H32N6 — CID 24741520

IUPAC1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CCCCCCCCCCCCn1cccn/c1=N\[H]
InChIInChI=1S/C20H32N6/c21-19-23-13-11-17-25(19)15-9-7-5-3-1-2-4-6-8-10-16-26-18-12-14-24-20(26)22/h11-14,17-18,21-22H,1-10,15-16H2/b21-19+,22-20+
InChIKeyFSHMTDIPAYWPHN-FLFKKZLDSA-N
MW356.52 g/mol
LogP3.64
Rot. Bonds13

About 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine

1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine (PubChem CID 24741520) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine.

Molecular Properties

Compound Name1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine
PubChem CID24741520
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CCCCCCCCCCCCn1cccn/c1=N\[H]
InChIInChI=1S/C20H32N6/c21-19-23-13-11-17-25(19)15-9-7-5-3-1-2-4-6-8-10-16-26-18-12-14-24-20(26)22/h11-14,17-18,21-22H,1-10,15-16H2/b21-19+,22-20+
InChIKeyFSHMTDIPAYWPHN-FLFKKZLDSA-N
XLogP3.64
TPSA83.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine?
The IUPAC name of 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine (CID 24741520) is 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine.
What is the SMILES notation for 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine?
The canonical SMILES for 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine is [H]/N=c1\ncccn1CCCCCCCCCCCCn1cccn/c1=N\[H].
What is the InChIKey of 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine?
The InChIKey is FSHMTDIPAYWPHN-FLFKKZLDSA-N. The full InChI is InChI=1S/C20H32N6/c21-19-23-13-11-17-25(19)15-9-7-5-3-1-2-4-6-8-10-16-26-18-12-14-24-20(26)22/h11-14,17-18,21-22H,1-10,15-16H2/b21-19+,22-20+.
What are the key properties of 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine?
1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine has a molecular weight of 356.52 g/mol, XLogP of 3.64, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-(2-iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine is sourced from PubChem (CID 24741520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).